CID 17754154

1-hexadecanosulfonyl-o-l-serine

Structural Information

Molecular Formula
C19H39NO5S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1
InChIKey
NKAIXQDVYXAWPS-SFHVURJKSA-N
Compound name
(2S)-2-amino-3-hexadecylsulfonyloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

393.25488 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26216 199.0
[M+Na]+ 416.24410 199.2
[M-H]- 392.24760 194.7
[M+NH4]+ 411.28870 203.1
[M+K]+ 432.21804 195.3
[M+H-H2O]+ 376.25214 191.4
[M+HCOO]- 438.25308 211.5
[M+CH3COO]- 452.26873 220.9
[M+Na-2H]- 414.22955 194.5
[M]+ 393.25433 206.6
[M]- 393.25543 206.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe