CID 45051320

N-(4-butylphenyl)-3-(2-chloro-3-methoxyphenyl)-2-propenamide

Structural Information

Molecular Formula
C20H22ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C20H22ClNO2/c1-3-4-6-15-9-12-17(13-10-15)22-19(23)14-11-16-7-5-8-18(24-2)20(16)21/h5,7-14H,3-4,6H2,1-2H3,(H,22,23)/b14-11+
InChIKey
VRUBGHTVHINNJZ-SDNWHVSQSA-N
Compound name
(E)-N-(4-butylphenyl)-3-(2-chloro-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1339 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14118 182.9
[M+Na]+ 366.12312 189.9
[M-H]- 342.12662 189.1
[M+NH4]+ 361.16772 197.1
[M+K]+ 382.09706 183.2
[M+H-H2O]+ 326.13116 175.2
[M+HCOO]- 388.13210 201.5
[M+CH3COO]- 402.14775 214.0
[M+Na-2H]- 364.10857 184.1
[M]+ 343.13335 187.5
[M]- 343.13445 187.5
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.