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 184.6
[M+Na]+ 386.06667 205.0
[M+NH4]+ 381.11127 193.0
[M+K]+ 402.04061 194.1
[M-H]- 362.07017 191.1
[M+Na-2H]- 384.05212 196.7
[M]+ 363.07690 190.0
[M]- 363.07800 190.0
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.