CID 54612364

10436-16-5

Structural Information

Molecular Formula
C37H70N2O2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C37H70N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38-35-39-37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3,(H,38,40)(H,39,41)/b19-17-,20-18+
InChIKey
JAPRZGVSYUJXTI-YAFCTCPESA-N
Compound name
(Z)-N-[[[(E)-octadec-9-enoyl]amino]methyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.5437 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.55098 268.9
[M+Na]+ 597.53292 278.3
[M-H]- 573.53642 257.2
[M+NH4]+ 592.57752 267.8
[M+K]+ 613.50686 277.0
[M+H-H2O]+ 557.54096 266.7
[M+HCOO]- 619.54190 271.5
[M+CH3COO]- 633.55755 268.1
[M+Na-2H]- 595.51837 252.4
[M]+ 574.54315 263.8
[M]- 574.54425 263.8
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

No patent data available for this compound.