CID 5505355

(2e)-n-(3,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C18H17Cl2NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2NO4/c1-23-15-6-11(7-16(24-2)18(15)25-3)4-5-17(22)21-14-9-12(19)8-13(20)10-14/h4-10H,1-3H3,(H,21,22)/b5-4+
InChIKey
ULCYQBBCCPCIOH-SNAWJCMRSA-N
Compound name
(E)-N-(3,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.05347 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.060746 183.8
[M+Na]+ 404.042688 193.6
[M-H]- 380.046194 190.6
[M+NH4]+ 399.087293 197.5
[M+K]+ 420.016628 187.8
[M+H-H2O]+ 364.050730 177.5
[M+HCOO]- 426.051671 198.6
[M+CH3COO]- 440.067321 218.8
[M+Na-2H]- 402.028136 184.4
[M]+ 381.05292142 192.8
[M]- 381.05401858 192.8
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.