CID 909822

Cyppa

Structural Information

Molecular Formula
C16H23N5
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC3CCCCC3
InChI
InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)
InChIKey
USEMRPYUFJNFQN-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

69
Patents

285.19534 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20262 171.0
[M+Na]+ 308.18456 177.9
[M-H]- 284.18806 175.3
[M+NH4]+ 303.22916 182.8
[M+K]+ 324.15850 172.5
[M+H-H2O]+ 268.19260 159.7
[M+HCOO]- 330.19354 188.1
[M+CH3COO]- 344.20919 180.7
[M+Na-2H]- 306.17001 172.0
[M]+ 285.19479 167.6
[M]- 285.19589 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe