CID 5738263

1290541-46-6

Structural Information

Molecular Formula
C22H17N3O
SMILES
C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CN=CC=C4
InChI
InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
InChIKey
GEKDQXSPTHHANP-OUKQBFOZSA-N
Compound name
3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

37
Patents

339.13718 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.144456 183.9
[M+Na]+ 362.126398 192.8
[M-H]- 338.129904 190.0
[M+NH4]+ 357.171003 193.4
[M+K]+ 378.100338 184.0
[M+H-H2O]+ 322.134440 171.2
[M+HCOO]- 384.135381 202.5
[M+CH3COO]- 398.151031 193.4
[M+Na-2H]- 360.111846 190.7
[M]+ 339.13663142 183.7
[M]- 339.13772858 183.7
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