CID 3023245

94006-04-9

Structural Information

Molecular Formula
C15H12ClN3O4
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN)Cl
InChI
InChI=1S/C15H12ClN3O4/c16-12-4-2-1-3-10(12)15(21)11-7-9(19(22)23)5-6-13(11)18-14(20)8-17/h1-7H,8,17H2,(H,18,20)
InChIKey
VDWHFAAXPZFFEI-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

333.05164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.058916 173.1
[M+Na]+ 356.040858 178.6
[M-H]- 332.044364 179.1
[M+NH4]+ 351.085463 185.4
[M+K]+ 372.014798 170.1
[M+H-H2O]+ 316.048900 170.3
[M+HCOO]- 378.049841 193.6
[M+CH3COO]- 392.065491 205.9
[M+Na-2H]- 354.026306 176.5
[M]+ 333.05109142 172.4
[M]- 333.05218858 172.4
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

patents stripe