CID 109941

58t6391nht

Structural Information

Molecular Formula
C19H40N3O2
SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)N
InChI
InChI=1S/C19H39N3O2/c1-4-5-6-7-8-9-10-11-12-14-19(24)21-15-13-16-22(2,3)17-18(20)23/h4-17H2,1-3H3,(H2-,20,21,23,24)/p+1
InChIKey
HJXOWTDBKRNSRX-UHFFFAOYSA-O
Compound name
(2-amino-2-oxoethyl)-[3-(dodecanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

342.31204 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.31932 189.3
[M+Na]+ 365.30126 189.4
[M-H]- 341.30476 188.5
[M+NH4]+ 360.34586 217.5
[M+K]+ 381.27520 181.9
[M+H-H2O]+ 325.30930 184.5
[M+HCOO]- 387.31024 228.5
[M+CH3COO]- 401.32589 219.2
[M+Na-2H]- 363.28671 190.8
[M]+ 342.31149 191.7
[M]- 342.31259 191.7
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.