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]+ 382.06075 183.8
[M+Na]+ 404.04269 193.6
[M-H]- 380.04619 190.6
[M+NH4]+ 399.08729 197.5
[M+K]+ 420.01663 187.8
[M+H-H2O]+ 364.05073 177.5
[M+HCOO]- 426.05167 198.6
[M+CH3COO]- 440.06732 218.8
[M+Na-2H]- 402.02814 184.4
[M]+ 381.05292 192.8
[M]- 381.05402 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.