CID 57332911

Credneramide b

Structural Information

Molecular Formula
C16H28ClNO
SMILES
CCC/C(=C\Cl)/C/C=C/CCC(=O)NCCC(C)C
InChI
InChI=1S/C16H28ClNO/c1-4-8-15(13-17)9-6-5-7-10-16(19)18-12-11-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)/b6-5+,15-13+
InChIKey
WHDZTXRZTFGPRJ-HQYXJCMVSA-N
Compound name
(E,7E)-7-(chloromethylidene)-N-(3-methylbutyl)dec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.18594 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19322 175.5
[M+Na]+ 308.17516 179.0
[M-H]- 284.17866 174.3
[M+NH4]+ 303.21976 192.0
[M+K]+ 324.14910 173.9
[M+H-H2O]+ 268.18320 170.2
[M+HCOO]- 330.18414 190.5
[M+CH3COO]- 344.19979 205.6
[M+Na-2H]- 306.16061 173.2
[M]+ 285.18539 178.8
[M]- 285.18649 178.8
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.