CID 5748862

3-(o-((2-(diethylamino)ethyl)carbamoyl)phenyl)-2-hydroxy-3-phenylacrylic acid

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1/C(=C(\C(=O)O)/O)/C2=CC=CC=C2
InChI
InChI=1S/C22H26N2O4/c1-3-24(4-2)15-14-23-21(26)18-13-9-8-12-17(18)19(20(25)22(27)28)16-10-6-5-7-11-16/h5-13,25H,3-4,14-15H2,1-2H3,(H,23,26)(H,27,28)/b20-19+
InChIKey
ISAFHNAEZDPEFI-FMQUCBEESA-N
Compound name
(E)-3-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 194.2
[M+Na]+ 405.17849 195.0
[M-H]- 381.18199 198.2
[M+NH4]+ 400.22309 203.4
[M+K]+ 421.15243 192.2
[M+H-H2O]+ 365.18653 185.0
[M+HCOO]- 427.18747 212.7
[M+CH3COO]- 441.20312 223.9
[M+Na-2H]- 403.16394 191.8
[M]+ 382.18872 193.4
[M]- 382.18982 193.4
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.