CID 6480679

Chembl364017

Structural Information

Molecular Formula
C21H17NO4
SMILES
CC1=CC=CC=C1C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H17NO4/c1-14-7-5-6-10-17(14)19-12-11-16(26-19)13-18(21(24)25)22-20(23)15-8-3-2-4-9-15/h2-13H,1H3,(H,22,23)(H,24,25)/b18-13-
InChIKey
CTLDCFURCCWYMH-AQTBWJFISA-N
Compound name
(Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

347.11575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12303 183.0
[M+Na]+ 370.10497 188.0
[M-H]- 346.10847 192.3
[M+NH4]+ 365.14957 194.7
[M+K]+ 386.07891 184.6
[M+H-H2O]+ 330.11301 174.7
[M+HCOO]- 392.11395 204.1
[M+CH3COO]- 406.12960 211.2
[M+Na-2H]- 368.09042 183.0
[M]+ 347.11520 183.1
[M]- 347.11630 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe