CID 213566

26740-91-0

Structural Information

Molecular Formula
C16H27N5
SMILES
CC1=NC(=NC(=N1)NC2CCCCC2)NC3CCCCC3
InChI
InChI=1S/C16H27N5/c1-12-17-15(19-13-8-4-2-5-9-13)21-16(18-12)20-14-10-6-3-7-11-14/h13-14H,2-11H2,1H3,(H2,17,18,19,20,21)
InChIKey
RAKLLEVFMIEYDL-UHFFFAOYSA-N
Compound name
2-N,4-N-dicyclohexyl-6-methyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

289.22665 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.23393 170.9
[M+Na]+ 312.21587 171.9
[M-H]- 288.21937 174.2
[M+NH4]+ 307.26047 180.6
[M+K]+ 328.18981 167.1
[M+H-H2O]+ 272.22391 158.8
[M+HCOO]- 334.22485 185.2
[M+CH3COO]- 348.24050 178.0
[M+Na-2H]- 310.20132 174.0
[M]+ 289.22610 160.4
[M]- 289.22720 160.4
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