CID 44150870

71701-07-0

Structural Information

Molecular Formula
C20H41N3O6S
SMILES
CCCCCCCCCCCCNCCNCCNC(=O)CC(C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C20H41N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-14-22-15-16-23-19(24)17-18(20(25)26)30(27,28)29/h18,21-22H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28,29)
InChIKey
FDFKZCRXLJPGEO-UHFFFAOYSA-N
Compound name
4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxo-2-sulfobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.2716 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.27888 221.1
[M+Na]+ 474.26082 228.0
[M-H]- 450.26432 219.5
[M+NH4]+ 469.30542 219.8
[M+K]+ 490.23476 201.3
[M+H-H2O]+ 434.26886 199.1
[M+HCOO]- 496.26980 221.8
[M+CH3COO]- 510.28545 234.2
[M+Na-2H]- 472.24627 204.4
[M]+ 451.27105 214.9
[M]- 451.27215 214.9
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.