CID 1015758

Chembl198596

Structural Information

Molecular Formula
C20H15ClN2O3
SMILES
C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15ClN2O3/c21-15-6-3-14(4-7-15)5-12-19(24)22-16-8-10-17(11-9-16)23-20(25)18-2-1-13-26-18/h1-13H,(H,22,24)(H,23,25)/b12-5+
InChIKey
OWTOMAYMZDSJHX-LFYBBSHMSA-N
Compound name
N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

366.07712 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08440 188.3
[M+Na]+ 389.06634 194.6
[M-H]- 365.06984 198.7
[M+NH4]+ 384.11094 200.7
[M+K]+ 405.04028 189.2
[M+H-H2O]+ 349.07438 179.9
[M+HCOO]- 411.07532 208.4
[M+CH3COO]- 425.09097 215.5
[M+Na-2H]- 387.05179 190.1
[M]+ 366.07657 190.8
[M]- 366.07767 190.8
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