CID 76541613

Dtxsid201021815

Structural Information

Molecular Formula
C20H41N3O3
SMILES
CCCCCCCCCCCCN(CCCN)C(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)
InChIKey
JKQIRCYJESXZOC-UHFFFAOYSA-N
Compound name
5-amino-2-[3-aminopropyl(dodecyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.3148 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.32208 198.6
[M+Na]+ 394.30402 200.0
[M+NH4]+ 389.34862 216.4
[M+K]+ 410.27796 196.2
[M-H]- 370.30752 195.8
[M+Na-2H]- 392.28947 195.1
[M]+ 371.31425 197.0
[M]- 371.31535 197.0
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.