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]+ 326.113536 173.1
[M+Na]+ 348.095478 178.1
[M-H]- 324.098984 173.6
[M+NH4]+ 343.140083 182.3
[M+K]+ 364.069418 172.3
[M+H-H2O]+ 308.103520 164.2
[M+HCOO]- 370.104461 186.5
[M+CH3COO]- 384.120111 204.1
[M+Na-2H]- 346.080926 176.0
[M]+ 325.10571142 167.5
[M]- 325.10680858 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.