CID 63835

Brn 3566636

Structural Information

Molecular Formula
C21H14ClN3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H14ClN3O2/c22-16-6-2-4-8-18(16)25-20(13-19(26)14-9-11-23-12-10-14)24-17-7-3-1-5-15(17)21(25)27/h1-12H,13H2
InChIKey
MIIHIYMYKNAPCK-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

375.07745 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08473 187.6
[M+Na]+ 398.06667 197.9
[M-H]- 374.07017 194.0
[M+NH4]+ 393.11127 196.5
[M+K]+ 414.04061 189.5
[M+H-H2O]+ 358.07471 175.4
[M+HCOO]- 420.07565 201.0
[M+CH3COO]- 434.09130 197.1
[M+Na-2H]- 396.05212 192.7
[M]+ 375.07690 190.7
[M]- 375.07800 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

literature stripe

Patent stripe

patents stripe