CID 373562

Nsc650015

Structural Information

Molecular Formula
C17H12ClN3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)O
InChI
InChI=1S/C17H12ClN3O3/c18-14-15(10-4-3-5-11(22)8-10)21(17(14)24)20-9-19-13-7-2-1-6-12(13)16(20)23/h1-9,14-15,22H
InChIKey
QHWVJCXJMUIIBL-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(3-hydroxyphenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.05673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06401 172.1
[M+Na]+ 364.04595 183.0
[M-H]- 340.04945 177.5
[M+NH4]+ 359.09055 176.6
[M+K]+ 380.01989 179.0
[M+H-H2O]+ 324.05399 156.7
[M+HCOO]- 386.05493 184.0
[M+CH3COO]- 400.07058 182.2
[M+Na-2H]- 362.03140 175.9
[M]+ 341.05618 183.2
[M]- 341.05728 183.2
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.