CID 175153

72785-10-5

Structural Information

Molecular Formula
C24H31N3
SMILES
CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H31N3/c1-2-3-4-5-6-7-19-8-12-21(13-9-19)23-17-26-24(27-18-23)22-14-10-20(16-25)11-15-22/h10-11,14-15,17-19,21H,2-9,12-13H2,1H3
InChIKey
VJMNQADPCKONIA-UHFFFAOYSA-N
Compound name
4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

361.2518 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25908 195.6
[M+Na]+ 384.24102 209.2
[M+NH4]+ 379.28562 199.9
[M+K]+ 400.21496 195.7
[M-H]- 360.24452 193.9
[M+Na-2H]- 382.22647 200.8
[M]+ 361.25125 196.4
[M]- 361.25235 196.4
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