CID 213570

Brn 0551957

Structural Information

Molecular Formula
C17H29N5
SMILES
CCC1=NC(=NC(=N1)NC2CCCCC2)NC3CCCCC3
InChI
InChI=1S/C17H29N5/c1-2-15-20-16(18-13-9-5-3-6-10-13)22-17(21-15)19-14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H2,18,19,20,21,22)
InChIKey
LUFDVJXBHMVHFV-UHFFFAOYSA-N
Compound name
2-N,4-N-dicyclohexyl-6-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.2423 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.24958 175.0
[M+Na]+ 326.23152 175.5
[M-H]- 302.23502 178.1
[M+NH4]+ 321.27612 184.1
[M+K]+ 342.20546 170.6
[M+H-H2O]+ 286.23956 162.8
[M+HCOO]- 348.24050 189.0
[M+CH3COO]- 362.25615 181.7
[M+Na-2H]- 324.21697 177.6
[M]+ 303.24175 164.8
[M]- 303.24285 164.8
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.