CID 57332910

Credneramide a

Structural Information

Molecular Formula
C19H26ClNO
SMILES
CCC/C(=C\Cl)/C/C=C/CCC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C19H26ClNO/c1-2-9-18(16-20)12-7-4-8-13-19(22)21-15-14-17-10-5-3-6-11-17/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,21,22)/b7-4+,18-16+
InChIKey
OJYMBSRQFFWVDQ-DYLVBWQHSA-N
Compound name
(E,7E)-7-(chloromethylidene)-N-(2-phenylethyl)dec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.1703 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17758 181.7
[M+Na]+ 342.15952 185.4
[M-H]- 318.16302 183.4
[M+NH4]+ 337.20412 196.5
[M+K]+ 358.13346 178.4
[M+H-H2O]+ 302.16756 174.8
[M+HCOO]- 364.16850 198.3
[M+CH3COO]- 378.18415 209.1
[M+Na-2H]- 340.14497 181.7
[M]+ 319.16975 184.4
[M]- 319.17085 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.