CID 202504

Brn 2773345

Structural Information

Molecular Formula
C17H16N2O5
SMILES
CCOC(=O)CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16N2O5/c1-2-24-16(20)11-18-15-9-8-13(19(22)23)10-14(15)17(21)12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3
InChIKey
PVRIWFYUNWXZNZ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-benzoyl-4-nitroanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10593 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 174.3
[M+Na]+ 351.09515 178.3
[M-H]- 327.09865 180.6
[M+NH4]+ 346.13975 186.2
[M+K]+ 367.06909 171.8
[M+H-H2O]+ 311.10319 170.0
[M+HCOO]- 373.10413 198.5
[M+CH3COO]- 387.11978 204.8
[M+Na-2H]- 349.08060 178.6
[M]+ 328.10538 174.5
[M]- 328.10648 174.5
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