CID 373560

Nsc650013

Structural Information

Molecular Formula
C17H12ClN3O2
SMILES
C1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C17H12ClN3O2/c18-14-15(11-6-2-1-3-7-11)21(17(14)23)20-10-19-13-9-5-4-8-12(13)16(20)22/h1-10,14-15H
InChIKey
HLHROVPJYKTBGW-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-oxo-4-phenylazetidin-1-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0618 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06908 167.7
[M+Na]+ 348.05102 178.6
[M-H]- 324.05452 174.0
[M+NH4]+ 343.09562 173.4
[M+K]+ 364.02496 174.5
[M+H-H2O]+ 308.05906 152.0
[M+HCOO]- 370.06000 181.0
[M+CH3COO]- 384.07565 178.4
[M+Na-2H]- 346.03647 172.7
[M]+ 325.06125 178.8
[M]- 325.06235 178.8
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.