CID 139596337

N-[3,3-bis[hydroxy(methyl)amino]propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

Structural Information

Molecular Formula
C13H14F17N3O4S
SMILES
CN(C(CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(C)O)O
InChI
InChI=1S/C13H14F17N3O4S/c1-32(34)5(33(2)35)3-4-31-38(36,37)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h5,31,34-35H,3-4H2,1-2H3
InChIKey
NXDZHPUCXBLOJJ-UHFFFAOYSA-N
Compound name
N-[3,3-bis[hydroxy(methyl)amino]propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

631.04333 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.05061 189.3
[M+Na]+ 654.03255 195.4
[M-H]- 630.03605 204.4
[M+NH4]+ 649.07715 201.6
[M+K]+ 670.00649 204.5
[M+H-H2O]+ 614.04059 176.6
[M+HCOO]- 676.04153 198.7
[M+CH3COO]- 690.05718 260.3
[M+Na-2H]- 652.01800 187.2
[M]+ 631.04278 185.2
[M]- 631.04388 185.2
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.