CID 13651626

104056-62-4

Structural Information

Molecular Formula
C18H32N10S4
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

compound 2d structure
1
Annotation Hits

0
References

21
Patents

516.16943 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.17671 198.4
[M+Na]+ 539.15865 205.9
[M+NH4]+ 534.20325 202.6
[M+K]+ 555.13259 195.0
[M-H]- 515.16215 201.6
[M+Na-2H]- 537.14410 202.4
[M]+ 516.16888 201.7
[M]- 516.16998 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe