CID 53478

2-(2-aminoacetamido)-2'-(o-chlorobenzoyl)-4'-nitroacetanilide hydrobromide

Structural Information

Molecular Formula
C17H15ClN4O5
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)CNC(=O)CN
InChI
InChI=1S/C17H15ClN4O5/c18-13-7-10(22(26)27)5-6-11(13)17(25)12-3-1-2-4-14(12)21-16(24)9-20-15(23)8-19/h1-7H,8-9,19H2,(H,20,23)(H,21,24)
InChIKey
XWUPQXJNNNSHLT-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[2-(2-chloro-4-nitrobenzoyl)anilino]-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0731 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08038 186.7
[M+Na]+ 413.06232 190.1
[M-H]- 389.06582 192.4
[M+NH4]+ 408.10692 196.0
[M+K]+ 429.03626 182.3
[M+H-H2O]+ 373.07036 183.2
[M+HCOO]- 435.07130 206.9
[M+CH3COO]- 449.08695 218.5
[M+Na-2H]- 411.04777 188.9
[M]+ 390.07255 186.0
[M]- 390.07365 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.