CID 3388309

Akos024428035

Structural Information

Molecular Formula
C30H63N2O
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H62N2O/c1-5-7-9-11-13-15-16-17-19-21-23-25-28-32(3,4)29-27-31-30(33)26-24-22-20-18-14-12-10-8-6-2/h5-29H2,1-4H3/p+1
InChIKey
FFBIRENCNBBTSF-UHFFFAOYSA-O
Compound name
2-(dodecanoylamino)ethyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

467.49405 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.50133 256.6
[M+Na]+ 490.48327 264.8
[M-H]- 466.48677 246.0
[M+NH4]+ 485.52787 255.3
[M+K]+ 506.45721 261.2
[M+H-H2O]+ 450.49131 249.0
[M+HCOO]- 512.49225 267.4
[M+CH3COO]- 526.50790 246.0
[M+Na-2H]- 488.46872 241.4
[M]+ 467.49350 254.2
[M]- 467.49460 254.2
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.