CID 10362945

Schembl5896983

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C22H18N2O5/c1-14(25)23-17-9-7-16(8-10-17)21(26)24-19(22(27)28)13-18-11-12-20(29-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)/b19-13-
InChIKey
MMNQPYSNTWTTNS-UYRXBGFRSA-N
Compound name
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

390.12158 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 193.4
[M+Na]+ 413.11080 196.6
[M-H]- 389.11430 202.5
[M+NH4]+ 408.15540 202.6
[M+K]+ 429.08474 194.1
[M+H-H2O]+ 373.11884 184.4
[M+HCOO]- 435.11978 214.4
[M+CH3COO]- 449.13543 221.4
[M+Na-2H]- 411.09625 192.5
[M]+ 390.12103 193.2
[M]- 390.12213 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.

Patent stripe

patents stripe