CID 139598154

Am-sa-pfsm n=6

Structural Information

Molecular Formula
C15H21F13N2O6S2
SMILES
CN(C)CCC(CO)N(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H21F13N2O6S2/c1-29(2)6-4-9(8-31)30(5-3-7-37(32,33)34)38(35,36)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h9,31H,3-8H2,1-2H3,(H,32,33,34)
InChIKey
NPCGTGMONUSERM-UHFFFAOYSA-N
Compound name
3-[[4-(dimethylamino)-1-hydroxybutan-2-yl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.06335 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.07063 164.8
[M+Na]+ 659.05257 165.4
[M+NH4]+ 654.09717 165.8
[M+K]+ 675.02651 166.1
[M-H]- 635.05607 164.7
[M+Na-2H]- 657.03802 164.1
[M]+ 636.06280 165.2
[M]- 636.06390 165.2
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.