CID 44150884

Einecs 298-846-0

Structural Information

Molecular Formula
C22H44N2O3
SMILES
CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C22H44N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21(25)23-19-16-15-17-20(22(26)27)24(2)3/h20H,4-19H2,1-3H3,(H,23,25)(H,26,27)/t20-/m0/s1
InChIKey
BXEWSXCWIYPNGS-FQEVSTJZSA-N
Compound name
(2S)-2-(dimethylamino)-6-(tetradecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.3352 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.342476 207.4
[M+Na]+ 407.324418 205.8
[M-H]- 383.327924 204.7
[M+NH4]+ 402.369023 222.3
[M+K]+ 423.298358 203.8
[M+H-H2O]+ 367.332460 198.9
[M+HCOO]- 429.333401 221.7
[M+CH3COO]- 443.349051 231.7
[M+Na-2H]- 405.309866 201.5
[M]+ 384.33465142 213.2
[M]- 384.33574858 213.2
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

No patent data available for this compound.