CID 53416087

Otilonium bromide its-2

Structural Information

Molecular Formula
C22H27NO4
SMILES
CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C22H27NO4/c1-2-3-4-5-6-9-16-27-20-11-8-7-10-19(20)21(24)23-18-14-12-17(13-15-18)22(25)26/h7-8,10-15H,2-6,9,16H2,1H3,(H,23,24)(H,25,26)
InChIKey
IYKWPMYHASDTRV-UHFFFAOYSA-N
Compound name
4-[(2-octoxybenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.194 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 192.0
[M+Na]+ 392.18322 202.6
[M+NH4]+ 387.22782 197.3
[M+K]+ 408.15716 195.7
[M-H]- 368.18672 194.7
[M+Na-2H]- 390.16867 197.4
[M]+ 369.19345 194.0
[M]- 369.19455 194.0
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