CID 193983

Cinoctramide [inn]

Structural Information

Molecular Formula
C19H27NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCCCCC2
InChI
InChI=1S/C19H27NO4/c1-22-16-13-15(14-17(23-2)19(16)24-3)9-10-18(21)20-11-7-5-4-6-8-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3
InChIKey
MDGVCMGGLSOVIQ-UHFFFAOYSA-N
Compound name
1-(azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.201276 169.2
[M+Na]+ 356.183218 172.9
[M-H]- 332.186724 171.3
[M+NH4]+ 351.227823 174.9
[M+K]+ 372.157158 172.6
[M+H-H2O]+ 316.191260 164.2
[M+HCOO]- 378.192201 176.7
[M+CH3COO]- 392.207851 233.7
[M+Na-2H]- 354.168666 166.7
[M]+ 333.19345142 169.3
[M]- 333.19454858 169.3
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.