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 186.0
[M+Na]+ 382.07177 197.0
[M-H]- 358.07527 192.3
[M+NH4]+ 377.11637 195.8
[M+K]+ 398.04571 187.2
[M+H-H2O]+ 342.07981 173.7
[M+HCOO]- 404.08075 200.2
[M+CH3COO]- 418.09640 195.8
[M+Na-2H]- 380.05722 192.0
[M]+ 359.08200 188.2
[M]- 359.08310 188.2
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.