CID 6433767

Cinnamanilide, 4'-butoxy-2',6'-dimethyl-n-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CCCCOC1=CC(=C(C(=C1)C)N(CCCN(C)C)C(=O)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C26H36N2O2/c1-6-7-18-30-24-19-21(2)26(22(3)20-24)28(17-11-16-27(4)5)25(29)15-14-23-12-9-8-10-13-23/h8-10,12-15,19-20H,6-7,11,16-18H2,1-5H3/b15-14+
InChIKey
VJMKZEIQRKGFSK-CCEZHUSRSA-N
Compound name
(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

408.27768 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.284956 207.7
[M+Na]+ 431.266898 210.5
[M-H]- 407.270404 215.7
[M+NH4]+ 426.311503 219.0
[M+K]+ 447.240838 207.3
[M+H-H2O]+ 391.274940 197.2
[M+HCOO]- 453.275881 230.7
[M+CH3COO]- 467.291531 239.8
[M+Na-2H]- 429.252346 205.1
[M]+ 408.27713142 213.8
[M]- 408.27822858 213.8
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

patents stripe