CID 206632

Brn 0546088

Structural Information

Molecular Formula
C14H18N6
SMILES
C1CCC(CC1)NC2=NC(=NC(=N2)N)C3=CN=CC=C3
InChI
InChI=1S/C14H18N6/c15-13-18-12(10-5-4-8-16-9-10)19-14(20-13)17-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H3,15,17,18,19,20)
InChIKey
MVUCOVKXHVANLU-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16658 163.4
[M+Na]+ 293.14852 168.6
[M-H]- 269.15202 166.5
[M+NH4]+ 288.19312 172.6
[M+K]+ 309.12246 162.8
[M+H-H2O]+ 253.15656 151.4
[M+HCOO]- 315.15750 180.8
[M+CH3COO]- 329.17315 172.2
[M+Na-2H]- 291.13397 170.0
[M]+ 270.15875 156.2
[M]- 270.15985 156.2
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.