CID 213571

26741-05-9

Structural Information

Molecular Formula
C18H31N5
SMILES
CCCC1=NC(=NC(=N1)NC2CCCCC2)NC3CCCCC3
InChI
InChI=1S/C18H31N5/c1-2-9-16-21-17(19-14-10-5-3-6-11-14)23-18(22-16)20-15-12-7-4-8-13-15/h14-15H,2-13H2,1H3,(H2,19,20,21,22,23)
InChIKey
GNFKQBSGIRUCPL-UHFFFAOYSA-N
Compound name
2-N,4-N-dicyclohexyl-6-propyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.25793 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.26521 179.1
[M+Na]+ 340.24715 179.2
[M-H]- 316.25065 182.0
[M+NH4]+ 335.29175 187.6
[M+K]+ 356.22109 174.0
[M+H-H2O]+ 300.25519 166.6
[M+HCOO]- 362.25613 192.7
[M+CH3COO]- 376.27178 185.4
[M+Na-2H]- 338.23260 181.2
[M]+ 317.25738 169.2
[M]- 317.25848 169.2
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

patents stripe