CID 6451888

Lauroyl arginine

Structural Information

Molecular Formula

C₁₈H₃₆N₄O₃

SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H36N4O3/c1-2-3-4-5-6-7-8-9-10-13-16(23)22-15(17(24)25)12-11-14-21-18(19)20/h15H,2-14H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)/t15-/m0/s1

InChIKey

XTJKNGLLPGBHHO-HNNXBMFYSA-N

Compound name

(2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1139
Patents: 356.27875 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.286026	193.7
[M+Na]+	379.267968	192.3
[M-H]-	355.271474	190.8
[M+NH4]+	374.312573	204.2
[M+K]+	395.241908	190.6
[M+H-H2O]+	339.276010	184.8
[M+HCOO]-	401.276951	213.6
[M+CH3COO]-	415.292601	228.0
[M+Na-2H]-	377.253416	188.5
[M]+	356.27820142	193.4
[M]-	356.27929858	193.4

Literature stripe

literature stripe

Patent stripe

patents stripe