CID 7453972

(z)-n-(1-(4-chlorophenyl)-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-2-yl)-4-methylbenzamide

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]+ 395.115706 197.6
[M+Na]+ 417.097648 202.7
[M-H]- 393.101154 207.8
[M+NH4]+ 412.142253 208.8
[M+K]+ 433.071588 197.5
[M+H-H2O]+ 377.105690 189.1
[M+HCOO]- 439.106631 216.1
[M+CH3COO]- 453.122281 222.2
[M+Na-2H]- 415.083096 197.2
[M]+ 394.10788142 200.3
[M]- 394.10897858 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.