CID 63737

16347-94-7

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCCCN1C=NC(=O)C2=CC=CC=C21
InChI
InChI=1S/C12H14N2O/c1-2-3-8-14-9-13-12(15)10-6-4-5-7-11(10)14/h4-7,9H,2-3,8H2,1H3
InChIKey
XEVUOWUIRWUKFT-UHFFFAOYSA-N
Compound name
1-butylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 143.6
[M+Na]+ 225.099828 153.4
[M-H]- 201.103334 145.6
[M+NH4]+ 220.144433 161.5
[M+K]+ 241.073768 149.5
[M+H-H2O]+ 185.107870 135.8
[M+HCOO]- 247.108811 164.8
[M+CH3COO]- 261.124461 186.7
[M+Na-2H]- 223.085276 152.1
[M]+ 202.11006142 145.9
[M]- 202.11115858 145.9
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.