CID 5282230

Tranilast

Structural Information

Molecular Formula
C18H17NO5
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC
InChI
InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
InChIKey
NZHGWWWHIYHZNX-CSKARUKUSA-N
Compound name
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

609
References

17433
Patents

327.1107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 175.9
[M+Na]+ 350.09992 187.3
[M+NH4]+ 345.14452 181.0
[M+K]+ 366.07386 182.0
[M-H]- 326.10342 178.1
[M+Na-2H]- 348.08537 181.7
[M]+ 327.11015 177.8
[M]- 327.11125 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe