CID 63481

4(3h)-quinazolinone, 3-cyclohexyl-2-methyl-

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3
InChI
InChI=1S/C15H18N2O/c1-11-16-14-10-6-5-9-13(14)15(18)17(11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey
YUXQCTLZVLTRSG-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.9
[M+Na]+ 265.13112 163.4
[M-H]- 241.13462 160.2
[M+NH4]+ 260.17572 171.6
[M+K]+ 281.10506 158.6
[M+H-H2O]+ 225.13916 146.5
[M+HCOO]- 287.14010 173.0
[M+CH3COO]- 301.15575 167.1
[M+Na-2H]- 263.11657 161.2
[M]+ 242.14135 152.5
[M]- 242.14245 152.5
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.