CID 5748859

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

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 192.2
[M+Na]+ 403.16282 199.9
[M+NH4]+ 398.20742 196.5
[M+K]+ 419.13676 197.4
[M-H]- 379.16632 194.3
[M+Na-2H]- 401.14827 196.7
[M]+ 380.17305 193.2
[M]- 380.17415 193.2
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.

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No patent data available for this compound.