CID 63398

3-butyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCCCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H14N2O/c1-2-3-8-14-9-13-11-7-5-4-6-10(11)12(14)15/h4-7,9H,2-3,8H2,1H3
InChIKey
ZZSCVVWJRCJHPA-UHFFFAOYSA-N
Compound name
3-butylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.6
[M+Na]+ 225.09983 153.4
[M-H]- 201.10333 145.6
[M+NH4]+ 220.14443 161.5
[M+K]+ 241.07377 149.5
[M+H-H2O]+ 185.10787 135.8
[M+HCOO]- 247.10881 164.8
[M+CH3COO]- 261.12446 186.7
[M+Na-2H]- 223.08528 152.1
[M]+ 202.11006 145.9
[M]- 202.11116 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

literature stripe

Patent stripe

patents stripe