CID 57483077

Aminopropyl laurylglutamine

Structural Information

Molecular Formula
C20H41N3O3
SMILES
CCCCCCCCCCCCN(CCCN)[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C20H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-16-23(17-12-15-21)18(20(25)26)13-14-19(22)24/h18H,2-17,21H2,1H3,(H2,22,24)(H,25,26)/t18-/m0/s1
InChIKey
JKQIRCYJESXZOC-SFHVURJKSA-N
Compound name
(2S)-5-amino-2-[3-aminopropyl(dodecyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

619
Patents

371.3148 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.322076 201.1
[M+Na]+ 394.304018 199.3
[M-H]- 370.307524 197.7
[M+NH4]+ 389.348623 210.5
[M+K]+ 410.277958 197.4
[M+H-H2O]+ 354.312060 192.4
[M+HCOO]- 416.313001 210.2
[M+CH3COO]- 430.328651 230.6
[M+Na-2H]- 392.289466 194.5
[M]+ 371.31425142 203.3
[M]- 371.31534858 203.3
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