CID 106838

67815-89-8

Structural Information

Molecular Formula
C25H43NO5
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)C=CC(=O)O
InChI
InChI=1S/C25H43NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-21-22(2)31-25(30)20-19-24(28)29/h10-11,19-20,22H,3-9,12-18,21H2,1-2H3,(H,26,27)(H,28,29)
InChIKey
BAMILFSYGWVQLH-UHFFFAOYSA-N
Compound name
4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

437.31412 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.32140 218.6
[M+Na]+ 460.30334 228.2
[M-H]- 436.30684 214.6
[M+NH4]+ 455.34794 222.4
[M+K]+ 476.27728 223.5
[M+H-H2O]+ 420.31138 209.1
[M+HCOO]- 482.31232 222.7
[M+CH3COO]- 496.32797 232.5
[M+Na-2H]- 458.28879 208.4
[M]+ 437.31357 215.7
[M]- 437.31467 215.7
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

No patent data available for this compound.