CID 10360313

Schembl5895381

Structural Information

Molecular Formula
C21H17NO4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C21H17NO4/c1-14-7-9-16(10-8-14)20(23)22-18(21(24)25)13-17-11-12-19(26-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)/b18-13-
InChIKey
OJXVRTWJIAKSAZ-AQTBWJFISA-N
Compound name
(Z)-2-[(4-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]+ 348.12303 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

No literature data available for this compound.

Patent stripe

patents stripe