CID 2393470

730949-69-6

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CCl
InChI
InChI=1S/C16H13ClN2O4/c17-8-15(20)19-12-4-2-1-3-11(12)16(21)18-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKey
NYZGTUCQLQLOTI-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

332.0564 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 176.0
[M+Na]+ 355.04562 182.8
[M-H]- 331.04912 184.9
[M+NH4]+ 350.09022 189.8
[M+K]+ 371.01956 180.5
[M+H-H2O]+ 315.05366 169.3
[M+HCOO]- 377.05460 193.6
[M+CH3COO]- 391.07025 209.6
[M+Na-2H]- 353.03107 180.5
[M]+ 332.05585 179.9
[M]- 332.05695 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.