CID 6442040

Dioleamide

Structural Information

Molecular Formula
C36H69NO
SMILES
CCCCCCCC/C=C/CCCCCCCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H69NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)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,37,38)/b19-17+,20-18-
InChIKey
GCAONVVVMAVFDE-NADBREJJSA-N
Compound name
(Z)-N-[(E)-octadec-9-enyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1068
Patents

531.5379 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.54518 258.4
[M+Na]+ 554.52712 266.4
[M-H]- 530.53062 241.8
[M+NH4]+ 549.57172 255.6
[M+K]+ 570.50106 265.7
[M+H-H2O]+ 514.53516 256.6
[M+HCOO]- 576.53610 264.9
[M+CH3COO]- 590.55175 259.2
[M+Na-2H]- 552.51257 242.3
[M]+ 531.53735 256.2
[M]- 531.53845 256.2
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