CID 213567

S-triazine, 4,6-bis(cyclohexylamino)-2-butyl-

Structural Information

Molecular Formula
C19H33N5
SMILES
CCCCC1=NC(=NC(=N1)NC2CCCCC2)NC3CCCCC3
InChI
InChI=1S/C19H33N5/c1-2-3-14-17-22-18(20-15-10-6-4-7-11-15)24-19(23-17)21-16-12-8-5-9-13-16/h15-16H,2-14H2,1H3,(H2,20,21,22,23,24)
InChIKey
UQPINPHOXJUEBF-UHFFFAOYSA-N
Compound name
6-butyl-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2736 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.28088 183.1
[M+Na]+ 354.26282 182.8
[M-H]- 330.26632 185.9
[M+NH4]+ 349.30742 191.1
[M+K]+ 370.23676 177.4
[M+H-H2O]+ 314.27086 170.5
[M+HCOO]- 376.27180 196.5
[M+CH3COO]- 390.28745 189.0
[M+Na-2H]- 352.24827 184.8
[M]+ 331.27305 173.6
[M]- 331.27415 173.6
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.