CID 24816434

1034025-63-2

Structural Information

Molecular Formula
C24H22ClNO4
SMILES
CC1=C(C=C(C=C1)OCC2=CC(=CC=C2)Cl)C(=O)NC3=C(C=C(C=C3)CC(=O)O)C
InChI
InChI=1S/C24H22ClNO4/c1-15-6-8-20(30-14-18-4-3-5-19(25)11-18)13-21(15)24(29)26-22-9-7-17(10-16(22)2)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKey
IKSUABKMJZDCNQ-UHFFFAOYSA-N
Compound name
2-[4-[[5-[(3-chlorophenyl)methoxy]-2-methylbenzoyl]amino]-3-methylphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

423.12375 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13103 200.5
[M+Na]+ 446.11297 207.5
[M-H]- 422.11647 209.0
[M+NH4]+ 441.15757 210.2
[M+K]+ 462.08691 201.3
[M+H-H2O]+ 406.12101 191.5
[M+HCOO]- 468.12195 216.8
[M+CH3COO]- 482.13760 227.8
[M+Na-2H]- 444.09842 199.4
[M]+ 423.12320 205.3
[M]- 423.12430 205.3
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

patents stripe