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]+ 381.18088 191.0
[M+Na]+ 403.16282 191.4
[M-H]- 379.16632 195.4
[M+NH4]+ 398.20742 199.8
[M+K]+ 419.13676 187.0
[M+H-H2O]+ 363.17086 181.6
[M+HCOO]- 425.17180 205.9
[M+CH3COO]- 439.18745 214.7
[M+Na-2H]- 401.14827 187.4
[M]+ 380.17305 185.6
[M]- 380.17415 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.