CID 154414053

2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid

Structural Information

Molecular Formula
C24H48N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CC(=O)O
InChI
InChI=1S/C24H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(27)25-20-18-21-26(2)22-24(28)29/h3-22H2,1-2H3,(H,25,27)(H,28,29)
InChIKey
ZFOOXLADYUMAOE-UHFFFAOYSA-N
Compound name
2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

412.3665 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.373776 215.0
[M+Na]+ 435.355718 212.7
[M-H]- 411.359224 211.9
[M+NH4]+ 430.400323 229.2
[M+K]+ 451.329658 209.7
[M+H-H2O]+ 395.363760 206.1
[M+HCOO]- 457.364701 231.8
[M+CH3COO]- 471.380351 236.7
[M+Na-2H]- 433.341166 209.5
[M]+ 412.36595142 222.3
[M]- 412.36704858 222.3
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