CID 205079

Itf 206

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCCCOC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H19NO4/c1-2-3-12-23-18(22)13-8-10-14(11-9-13)19-16-7-5-4-6-15(16)17(20)21/h4-11,19H,2-3,12H2,1H3,(H,20,21)
InChIKey
MYVYRCJIALKKDS-UHFFFAOYSA-N
Compound name
2-(4-butoxycarbonylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 174.1
[M+Na]+ 336.12062 185.6
[M+NH4]+ 331.16522 180.1
[M+K]+ 352.09456 179.6
[M-H]- 312.12412 177.0
[M+Na-2H]- 334.10607 180.7
[M]+ 313.13085 176.3
[M]- 313.13195 176.3
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.