PubChemLite - Einecs 246-489-6 (C18H32N10S2)

Structural Information

Molecular Formula

SMILES

CCNC1=NC(=NC(=N1)SSC2=NC(=NC(=N2)N(CC)CC)NCC)N(CC)CC

InChI

InChI=1S/C18H32N10S2/c1-7-19-13-21-15(27(9-3)10-4)25-17(23-13)29-30-18-24-14(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

YJMUGCWPZVMLMP-UHFFFAOYSA-N

Compound name

6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]disulfanyl]-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]+	453.23256	201.1
[M+Na]+	475.21450	207.2
[M-H]-	451.21800	202.3
[M+NH4]+	470.25910	203.8
[M+K]+	491.18844	199.7
[M+H-H2O]+	435.22254	189.8
[M+HCOO]-	497.22348	210.6
[M+CH3COO]-	511.23913	247.8
[M+Na-2H]-	473.19995	203.0
[M]+	452.22473	207.9
[M]-	452.22583	207.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.23256

201.1

[M+Na]+

475.21450

207.2

[M-H]-

451.21800

202.3

[M+NH4]+

470.25910

203.8

[M+K]+

491.18844

199.7

[M+H-H2O]+

435.22254

189.8

[M+HCOO]-

497.22348

210.6

[M+CH3COO]-

511.23913

247.8

[M+Na-2H]-

473.19995

203.0

[M]+

452.22473

207.9

[M]-

452.22583

207.9

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

Einecs 246-489-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe