PubChemLite - 1,3,5-triazine-2,4-diamine, 6,6'-tetrathiobis(n,n,n'-triethyl- (C18H32N10S4)

Structural Information

Molecular Formula

SMILES

CCNC1=NC(=NC(=N1)SSSSC2=NC(=NC(=N2)N(CC)CC)NCC)N(CC)CC

InChI

InChI=1S/C18H32N10S4/c1-7-19-13-21-15(27(9-3)10-4)25-17(23-13)29-31-32-30-18-24-14(20-8-2)22-16(26-18)28(11-5)12-6/h7-12H2,1-6H3,(H,19,21,23,25)(H,20,22,24,26)

InChIKey

BWSLMOVFRHFYMA-UHFFFAOYSA-N

Compound name

6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	517.17671	197.7
[M+Na]+	539.15865	203.5
[M-H]-	515.16215	196.2
[M+NH4]+	534.20325	198.0
[M+K]+	555.13259	190.9
[M+H-H2O]+	499.16669	188.7
[M+HCOO]-	561.16763	195.8
[M+CH3COO]-	575.18328	253.7
[M+Na-2H]-	537.14410	200.7
[M]+	516.16888	200.6
[M]-	516.16998	200.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.17671

197.7

[M+Na]+

539.15865

203.5

[M-H]-

515.16215

196.2

[M+NH4]+

534.20325

198.0

[M+K]+

555.13259

190.9

[M+H-H2O]+

499.16669

188.7

[M+HCOO]-

561.16763

195.8

[M+CH3COO]-

575.18328

253.7

[M+Na-2H]-

537.14410

200.7

[M]+

516.16888

200.6

[M]-

516.16998

200.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,3,5-triazine-2,4-diamine, 6,6'-tetrathiobis(n,n,n'-triethyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe