CID 141161881

Ea269th5k4

Structural Information

Molecular Formula
C19H40N2O6S
SMILES
CCCCCCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C19H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-19(24)20-12-13-21(14-15-22)16-18(23)17-28(25,26)27/h18,22-23H,2-17H2,1H3,(H,20,24)(H,25,26,27)
InChIKey
COLBEBYGATXUQB-UHFFFAOYSA-N
Compound name
3-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

856
Patents

424.2607 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.26798 203.6
[M+Na]+ 447.24992 201.8
[M-H]- 423.25342 211.3
[M+NH4]+ 442.29452 214.7
[M+K]+ 463.22386 198.7
[M+H-H2O]+ 407.25796 195.5
[M+HCOO]- 469.25890 217.8
[M+CH3COO]- 483.27455 226.6
[M+Na-2H]- 445.23537 199.6
[M]+ 424.26015 211.8
[M]- 424.26125 211.8
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

patents stripe