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]+ 243.149176 155.9
[M+Na]+ 265.131118 163.4
[M-H]- 241.134624 160.2
[M+NH4]+ 260.175723 171.6
[M+K]+ 281.105058 158.6
[M+H-H2O]+ 225.139160 146.5
[M+HCOO]- 287.140101 173.0
[M+CH3COO]- 301.155751 167.1
[M+Na-2H]- 263.116566 161.2
[M]+ 242.14135142 152.5
[M]- 242.14244858 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.