CID 5748859

Acrylic acid, 2-hydroxy-3-phenyl-3-(o-((2-(1-pyrrolidinyl)ethyl)carbamoyl)phenyl)-

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C1CCN(C1)CCNC(=O)C2=CC=CC=C2/C(=C(/C(=O)O)\O)/C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O4/c25-20(22(27)28)19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)21(26)23-12-15-24-13-6-7-14-24/h1-5,8-11,25H,6-7,12-15H2,(H,23,26)(H,27,28)/b20-19-
InChIKey
NCOFVTOKHWJBGD-VXPUYCOJSA-N
Compound name
(Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 191.0
[M+Na]+ 403.162818 191.4
[M-H]- 379.166324 195.4
[M+NH4]+ 398.207423 199.8
[M+K]+ 419.136758 187.0
[M+H-H2O]+ 363.170860 181.6
[M+HCOO]- 425.171801 205.9
[M+CH3COO]- 439.187451 214.7
[M+Na-2H]- 401.148266 187.4
[M]+ 380.17305142 185.6
[M]- 380.17414858 185.6
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.