CID 374780

Nsc653025

Structural Information

Molecular Formula
C17H12ClN3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC(=CC=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H12ClN3O3/c18-17-16(22)15(13-9-19-14-7-2-1-6-12(13)14)20(17)10-4-3-5-11(8-10)21(23)24/h1-9,15,17,19H
InChIKey
PCQRBGZKNNBCAY-UHFFFAOYSA-N
Compound name
2-chloro-4-(1H-indol-3-yl)-1-(3-nitrophenyl)azetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.05673 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06401 169.9
[M+Na]+ 364.04595 177.7
[M-H]- 340.04945 176.7
[M+NH4]+ 359.09055 176.3
[M+K]+ 380.01989 170.2
[M+H-H2O]+ 324.05399 160.2
[M+HCOO]- 386.05493 185.7
[M+CH3COO]- 400.07058 204.4
[M+Na-2H]- 362.03140 174.4
[M]+ 341.05618 178.9
[M]- 341.05728 178.9
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.