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]+ 252.11315 156.5
[M+Na]+ 274.09509 166.3
[M-H]- 250.09859 161.4
[M+NH4]+ 269.13969 171.4
[M+K]+ 290.06903 160.4
[M+H-H2O]+ 234.10313 147.1
[M+HCOO]- 296.10407 178.3
[M+CH3COO]- 310.11972 168.5
[M+Na-2H]- 272.08054 164.5
[M]+ 251.10532 155.8
[M]- 251.10642 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