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
3
Annotation Hits

1
References

1176
Patents

356.27875 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.28603 193.7
[M+Na]+ 379.26797 192.3
[M-H]- 355.27147 190.8
[M+NH4]+ 374.31257 204.2
[M+K]+ 395.24191 190.6
[M+H-H2O]+ 339.27601 184.8
[M+HCOO]- 401.27695 213.6
[M+CH3COO]- 415.29260 228.0
[M+Na-2H]- 377.25342 188.5
[M]+ 356.27820 193.4
[M]- 356.27930 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe