CID 139595265

N-(2-hydroxyethyl)-3-[(2-hydroxyethyl)[(perfluoroheptyl)sulfonyl]amino]-n,n-dimethyl-1-propanaminium

Structural Information

Molecular Formula
C16H22F15N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C16H22F15N2O4S/c1-33(2,7-9-35)6-3-4-32(5-8-34)38(36,37)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h34-35H,3-9H2,1-2H3/q+1
InChIKey
HNEQXXSLGKCUAV-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

623.1061 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.11338 210.9
[M+Na]+ 646.09532 214.1
[M-H]- 622.09882 221.7
[M+NH4]+ 641.13992 220.7
[M+K]+ 662.06926 222.1
[M+H-H2O]+ 606.10336 193.2
[M+HCOO]- 668.10430 227.5
[M+CH3COO]- 682.11995 251.3
[M+Na-2H]- 644.08077 204.6
[M]+ 623.10555 208.3
[M]- 623.10665 208.3
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.