CID 60143336

Schembl11903389

Structural Information

Molecular Formula
C20H36BrNO
SMILES
C=CCCCCCC(CCCCBr)CCCC(=O)NCCC=C
InChI
InChI=1S/C20H36BrNO/c1-3-5-7-8-9-13-19(14-10-11-17-21)15-12-16-20(23)22-18-6-4-2/h3-4,19H,1-2,5-18H2,(H,22,23)
InChIKey
WTMKCJYPHDROBP-UHFFFAOYSA-N
Compound name
5-(4-bromobutyl)-N-but-3-enyldodec-11-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.19803 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20531 196.2
[M+Na]+ 408.18725 200.7
[M-H]- 384.19075 196.5
[M+NH4]+ 403.23185 211.3
[M+K]+ 424.16119 186.2
[M+H-H2O]+ 368.19529 193.5
[M+HCOO]- 430.19623 212.6
[M+CH3COO]- 444.21188 222.1
[M+Na-2H]- 406.17270 194.5
[M]+ 385.19748 217.7
[M]- 385.19858 217.7
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