CID 28823767

3-[(3-aminophenyl)methyl]-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC(=CC=C3)N
InChI
InChI=1S/C15H13N3O/c16-12-5-3-4-11(8-12)9-18-10-17-14-7-2-1-6-13(14)15(18)19/h1-8,10H,9,16H2
InChIKey
URIZJNMVFRWEPT-UHFFFAOYSA-N
Compound name
3-[(3-aminophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 156.5
[M+Na]+ 274.095088 166.3
[M-H]- 250.098594 161.4
[M+NH4]+ 269.139693 171.4
[M+K]+ 290.069028 160.4
[M+H-H2O]+ 234.103130 147.1
[M+HCOO]- 296.104071 178.3
[M+CH3COO]- 310.119721 168.5
[M+Na-2H]- 272.080536 164.5
[M]+ 251.10532142 155.8
[M]- 251.10641858 155.8
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

patents stripe