CID 188214

N(alpha)-lauroylarginine ethyl ester

Structural Information

Molecular Formula
C20H40N4O3
SMILES
CCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)OCC
InChI
InChI=1S/C20H40N4O3/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23)/t17-/m0/s1
InChIKey
XJTMYVOVQZMMKX-KRWDZBQOSA-N
Compound name
ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

64
References

2201
Patents

384.31003 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.31731 201.2
[M+Na]+ 407.29925 202.0
[M+NH4]+ 402.34385 221.7
[M+K]+ 423.27319 223.5
[M-H]- 383.30275 199.0
[M+Na-2H]- 405.28470 197.9
[M]+ 384.30948 199.6
[M]- 384.31058 199.6
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

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