CID 374772

Nsc653017

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
C1=CC=C(C=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H13ClN2O/c18-17-16(21)15(20(17)11-6-2-1-3-7-11)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,17,19H
InChIKey
VXADAIHYNVMDPU-UHFFFAOYSA-N
Compound name
2-chloro-4-(1H-indol-3-yl)-1-phenylazetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.07166 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07894 160.2
[M+Na]+ 319.06088 170.8
[M-H]- 295.06438 167.2
[M+NH4]+ 314.10548 169.8
[M+K]+ 335.03482 165.7
[M+H-H2O]+ 279.06892 147.0
[M+HCOO]- 341.06986 175.6
[M+CH3COO]- 355.08551 171.9
[M+Na-2H]- 317.04633 163.8
[M]+ 296.07111 170.6
[M]- 296.07221 170.6
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.