CID 470560

Chembl87270

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C19H20N2O4/c22-17(20-14-8-2-1-3-9-14)12-6-7-13-18(23)21-16-11-5-4-10-15(16)19(24)25/h1-5,8-11H,6-7,12-13H2,(H,20,22)(H,21,23)(H,24,25)
InChIKey
PEGACRCTMLKJSI-UHFFFAOYSA-N
Compound name
2-[(6-anilino-6-oxohexanoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.1423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.4
[M+Na]+ 363.13152 183.1
[M-H]- 339.13502 184.8
[M+NH4]+ 358.17612 191.5
[M+K]+ 379.10546 179.6
[M+H-H2O]+ 323.13956 171.4
[M+HCOO]- 385.14050 202.0
[M+CH3COO]- 399.15615 213.1
[M+Na-2H]- 361.11697 181.9
[M]+ 340.14175 179.8
[M]- 340.14285 179.8
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.