CID 201270

Brn 0592435

Structural Information

Molecular Formula
C21H42N6S6
SMILES
CCSCN(CSCC)C1=NC(=NC(=N1)N(CSCC)CSCC)N(CSCC)CSCC
InChI
InChI=1S/C21H42N6S6/c1-7-28-13-25(14-29-8-2)19-22-20(26(15-30-9-3)16-31-10-4)24-21(23-19)27(17-32-11-5)18-33-12-6/h7-18H2,1-6H3
InChIKey
JTYAAWYWKSMNHS-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(ethylsulfanylmethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.1795 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.18678 198.4
[M+Na]+ 593.16872 201.6
[M+NH4]+ 588.21332 203.3
[M+K]+ 609.14266 189.2
[M-H]- 569.17222 200.5
[M+Na-2H]- 591.15417 198.3
[M]+ 570.17895 201.3
[M]- 570.18005 201.3
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

No patent data available for this compound.