CID 63275

Brn 0705134

Structural Information

Molecular Formula
C20H14ClN3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC=CC=C3Cl)C4=CC=CC=N4
InChI
InChI=1S/C20H14ClN3O2/c21-15-8-2-4-10-17(15)26-13-19-23-16-9-3-1-7-14(16)20(25)24(19)18-11-5-6-12-22-18/h1-12H,13H2
InChIKey
IOKVONMAZODBNU-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08473 184.7
[M+Na]+ 386.06667 195.5
[M-H]- 362.07017 191.1
[M+NH4]+ 381.11127 194.2
[M+K]+ 402.04061 187.3
[M+H-H2O]+ 346.07471 172.4
[M+HCOO]- 408.07565 199.2
[M+CH3COO]- 422.09130 194.7
[M+Na-2H]- 384.05212 191.3
[M]+ 363.07690 188.7
[M]- 363.07800 188.7
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.