CID 7453972

297145-62-1

Structural Information

Molecular Formula
C22H19ClN2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCC3=CC=CO3
InChI
InChI=1S/C22H19ClN2O3/c1-15-4-8-17(9-5-15)21(26)25-20(13-16-6-10-18(23)11-7-16)22(27)24-14-19-3-2-12-28-19/h2-13H,14H2,1H3,(H,24,27)(H,25,26)/b20-13-
InChIKey
LZTMDBINNSQFDJ-MOSHPQCFSA-N
Compound name
N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11571 197.6
[M+Na]+ 417.09765 202.7
[M-H]- 393.10115 207.8
[M+NH4]+ 412.14225 208.8
[M+K]+ 433.07159 197.5
[M+H-H2O]+ 377.10569 189.1
[M+HCOO]- 439.10663 216.1
[M+CH3COO]- 453.12228 222.2
[M+Na-2H]- 415.08310 197.2
[M]+ 394.10788 200.3
[M]- 394.10898 200.3
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

No patent data available for this compound.