CID 5904182

B 231

Structural Information

Molecular Formula
C21H14ClN3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CN=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H14ClN3O/c22-17-8-2-4-10-19(17)25-20(12-11-15-6-5-13-23-14-15)24-18-9-3-1-7-16(18)21(25)26/h1-14H/b12-11+
InChIKey
MCVLGQPIHKDMQJ-VAWYXSNFSA-N
Compound name
3-(2-chlorophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.08255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08983 185.2
[M+Na]+ 382.07177 205.8
[M+NH4]+ 377.11637 193.7
[M+K]+ 398.04571 194.1
[M-H]- 358.07527 191.8
[M+Na-2H]- 380.05722 197.3
[M]+ 359.08200 190.7
[M]- 359.08310 190.7
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.