CID 6435965

4(3h)-quinazolinone, 2-(2-(4-pyridyl)ethenyl)-3-(o-tolyl)-

Structural Information

Molecular Formula
C22H17N3O
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=NC=C4
InChI
InChI=1S/C22H17N3O/c1-16-6-2-5-9-20(16)25-21(11-10-17-12-14-23-15-13-17)24-19-8-4-3-7-18(19)22(25)26/h2-15H,1H3/b11-10+
InChIKey
QYELBYIQYRWSOT-ZHACJKMWSA-N
Compound name
3-(2-methylphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14446 184.7
[M+Na]+ 362.12640 194.6
[M-H]- 338.12990 191.3
[M+NH4]+ 357.17100 194.5
[M+K]+ 378.10034 185.8
[M+H-H2O]+ 322.13444 172.2
[M+HCOO]- 384.13538 203.3
[M+CH3COO]- 398.15103 194.6
[M+Na-2H]- 360.11185 190.7
[M]+ 339.13663 184.9
[M]- 339.13773 184.9
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.