CID 118230

Einecs 252-499-1

Structural Information

Molecular Formula
C19H34N6S2
SMILES
CCN(CC)C1=NC(=NC(=N1)SNC2CCCCC2)SNC3CCCCC3
InChI
InChI=1S/C19H34N6S2/c1-3-25(4-2)17-20-18(26-23-15-11-7-5-8-12-15)22-19(21-17)27-24-16-13-9-6-10-14-16/h15-16,23-24H,3-14H2,1-2H3
InChIKey
JPLINCBENVLYRJ-UHFFFAOYSA-N
Compound name
4,6-bis[(cyclohexylamino)sulfanyl]-N,N-diethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22864 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23592 187.5
[M+Na]+ 433.21786 187.5
[M-H]- 409.22136 190.9
[M+NH4]+ 428.26246 193.9
[M+K]+ 449.19180 181.1
[M+H-H2O]+ 393.22590 176.6
[M+HCOO]- 455.22684 192.5
[M+CH3COO]- 469.24249 192.6
[M+Na-2H]- 431.20331 187.3
[M]+ 410.22809 182.2
[M]- 410.22919 182.2
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.