CID 52922079

N-stearoyl arginine

Structural Information

Molecular Formula
C23H46N4O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCN=C(N)N)C(=O)O
InChI
InChI=1S/C23H46N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(28)27-20(22(29)30)18-19-26-23(24)25/h20H,2-19H2,1H3,(H,27,28)(H,29,30)(H4,24,25,26)/t20-/m0/s1
InChIKey
JEISZCQAXYJJOO-FQEVSTJZSA-N
Compound name
(2S)-4-(diaminomethylideneamino)-2-(octadecanoylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.357 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.36428 214.7
[M+Na]+ 449.34622 211.2
[M-H]- 425.34972 226.3
[M+NH4]+ 444.39082 225.4
[M+K]+ 465.32016 208.4
[M+H-H2O]+ 409.35426 205.0
[M+HCOO]- 471.35520 223.4
[M+CH3COO]- 485.37085 242.6
[M+Na-2H]- 447.33167 207.2
[M]+ 426.35645 215.8
[M]- 426.35755 215.8
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.