CID 6435969

B 234

Structural Information

Molecular Formula
C23H19N3O
SMILES
CC1=NC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C
InChI
InChI=1S/C23H19N3O/c1-16-7-3-6-10-21(16)26-22(14-13-18-12-11-17(2)24-15-18)25-20-9-5-4-8-19(20)23(26)27/h3-15H,1-2H3/b14-13+
InChIKey
BMMVDLFHWAOCDK-BUHFOSPRSA-N
Compound name
3-(2-methylphenyl)-2-[(E)-2-(6-methylpyridin-3-yl)ethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1528 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16008 187.8
[M+Na]+ 376.14202 207.6
[M+NH4]+ 371.18662 195.7
[M+K]+ 392.11596 196.6
[M-H]- 352.14552 194.5
[M+Na-2H]- 374.12747 199.2
[M]+ 353.15225 192.9
[M]- 353.15335 192.9
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.