CID 24208908

4-(2-methylcyclohexyl)-2-phenylquinazoline

Structural Information

Molecular Formula
C21H22N2
SMILES
CC1CCCCC1C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2/c1-15-9-5-6-12-17(15)20-18-13-7-8-14-19(18)22-21(23-20)16-10-3-2-4-11-16/h2-4,7-8,10-11,13-15,17H,5-6,9,12H2,1H3
InChIKey
DFKCZTOBOYQYCU-UHFFFAOYSA-N
Compound name
4-(2-methylcyclohexyl)-2-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 175.5
[M+Na]+ 325.16750 193.0
[M+NH4]+ 320.21210 185.7
[M+K]+ 341.14144 182.1
[M-H]- 301.17100 183.4
[M+Na-2H]- 323.15295 186.6
[M]+ 302.17773 180.6
[M]- 302.17883 180.6
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.