CID 373564

Nsc650017

Structural Information

Molecular Formula
C17H11ClN4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H11ClN4O4/c18-14-15(10-4-3-5-11(8-10)22(25)26)21(17(14)24)20-9-19-13-7-2-1-6-12(13)16(20)23/h1-9,14-15H
InChIKey
GLIPMQANQSVZFV-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(3-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.04688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05416 176.4
[M+Na]+ 393.03610 184.5
[M-H]- 369.03960 182.6
[M+NH4]+ 388.08070 178.9
[M+K]+ 409.01004 177.9
[M+H-H2O]+ 353.04414 164.1
[M+HCOO]- 415.04508 190.1
[M+CH3COO]- 429.06073 212.6
[M+Na-2H]- 391.02155 182.5
[M]+ 370.04633 186.0
[M]- 370.04743 186.0
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.