CID 2874604

471916-04-8

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C17H15N3O4/c21-15(18-11-5-3-4-10(8-11)17(23)24)9-14-16(22)20-13-7-2-1-6-12(13)19-14/h1-8,14,19H,9H2,(H,18,21)(H,20,22)(H,23,24)
InChIKey
KDMRNPQJYWJSJR-UHFFFAOYSA-N
Compound name
3-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 173.1
[M+Na]+ 348.09548 178.1
[M-H]- 324.09898 173.6
[M+NH4]+ 343.14008 182.3
[M+K]+ 364.06942 172.3
[M+H-H2O]+ 308.10352 164.2
[M+HCOO]- 370.10446 186.5
[M+CH3COO]- 384.12011 204.1
[M+Na-2H]- 346.08093 176.0
[M]+ 325.10571 167.5
[M]- 325.10681 167.5
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

No patent data available for this compound.