CID 3020564

85237-61-2

Structural Information

Molecular Formula
C16H15N3O4
SMILES
CC(=O)NC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H15N3O4/c1-10(20)17-14-8-7-12(9-13(14)15(21)22)19-16(23)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H,21,22)(H2,18,19,23)
InChIKey
COOFKYGVLDDFCE-UHFFFAOYSA-N
Compound name
2-acetamido-5-(phenylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.113536 170.6
[M+Na]+ 336.095478 174.8
[M-H]- 312.098984 176.1
[M+NH4]+ 331.140083 182.9
[M+K]+ 352.069418 172.2
[M+H-H2O]+ 296.103520 162.0
[M+HCOO]- 358.104461 194.2
[M+CH3COO]- 372.120111 210.3
[M+Na-2H]- 334.080926 173.5
[M]+ 313.10571142 168.6
[M]- 313.10680858 168.6
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.