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]+ 203.11789 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.