CID 11725235

Schembl5895887

Structural Information

Molecular Formula
C21H17NO4
SMILES
CC1=CC(=CC=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C21H17NO4/c1-14-6-5-9-16(12-14)20(23)22-18(21(24)25)13-17-10-11-19(26-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23)(H,24,25)/b18-13-
InChIKey
XDALALXYJFHVSL-AQTBWJFISA-N
Compound name
(Z)-2-[(3-methylbenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

347.11575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.123026 183.0
[M+Na]+ 370.104968 188.0
[M-H]- 346.108474 192.3
[M+NH4]+ 365.149573 194.7
[M+K]+ 386.078908 184.6
[M+H-H2O]+ 330.113010 174.7
[M+HCOO]- 392.113951 204.1
[M+CH3COO]- 406.129601 211.2
[M+Na-2H]- 368.090416 183.0
[M]+ 347.11520142 183.1
[M]- 347.11629858 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

No literature data available for this compound.

Patent stripe

patents stripe