CID 6283138

N-(1-((benzylamino)carbonyl)-2-(5-(3,4-di-cl-ph)-2-furyl)vinyl)-4-me-benzamide

Structural Information

Molecular Formula
C28H22Cl2N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C28H22Cl2N2O3/c1-18-7-9-20(10-8-18)27(33)32-25(28(34)31-17-19-5-3-2-4-6-19)16-22-12-14-26(35-22)21-11-13-23(29)24(30)15-21/h2-16H,17H2,1H3,(H,31,34)(H,32,33)/b25-16+
InChIKey
ZNHATVACJUBAHG-PCLIKHOPSA-N
Compound name
N-[(E)-3-(benzylamino)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

504.10074 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.10802 224.5
[M+Na]+ 527.08996 239.5
[M+NH4]+ 522.13456 231.0
[M+K]+ 543.06390 231.4
[M-H]- 503.09346 233.6
[M+Na-2H]- 525.07541 233.3
[M]+ 504.10019 229.8
[M]- 504.10129 229.8
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

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