CID 20836274

93893-26-6

Structural Information

Molecular Formula
C24H46N2O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CCO)CC(=O)O
InChI
InChI=1S/C24H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30/h9-10,27H,2-8,11-22H2,1H3,(H,25,28)(H,29,30)/b10-9-
InChIKey
WZYZRBKYWZVNTR-KTKRTIGZSA-N
Compound name
2-[2-hydroxyethyl-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

488
Patents

426.34576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.353036 215.5
[M+Na]+ 449.334978 236.1
[M-H]- 425.338484 221.3
[M+NH4]+ 444.379583 226.4
[M+K]+ 465.308918 209.2
[M+H-H2O]+ 409.343020 206.7
[M+HCOO]- 471.343961 229.4
[M+CH3COO]- 485.359611 234.8
[M+Na-2H]- 447.320426 209.7
[M]+ 426.34521142 221.5
[M]- 426.34630858 221.5
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