CID 57814

N-(4-allyloxy-3,5-dipropylbenzoyl)-p-aminobenzoic acid

Structural Information

Molecular Formula
C23H27NO4
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C23H27NO4/c1-4-7-17-14-19(15-18(8-5-2)21(17)28-13-6-3)22(25)24-20-11-9-16(10-12-20)23(26)27/h6,9-12,14-15H,3-5,7-8,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKey
FIRMVMLZYVHVCC-UHFFFAOYSA-N
Compound name
4-[(4-prop-2-enoxy-3,5-dipropylbenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 195.0
[M+Na]+ 404.18322 206.3
[M+NH4]+ 399.22782 199.9
[M+K]+ 420.15716 199.4
[M-H]- 380.18672 197.6
[M+Na-2H]- 402.16867 199.7
[M]+ 381.19345 197.1
[M]- 381.19455 197.1
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.