CID 88446531

2-(nonadecanoylamino)ethanesulfonic acid

Structural Information

Molecular Formula
C21H43NO4S
SMILES
CCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChI
InChI=1S/C21H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20-27(24,25)26/h2-20H2,1H3,(H,22,23)(H,24,25,26)
InChIKey
NQBFDBRQDMVYQI-UHFFFAOYSA-N
Compound name
2-(nonadecanoylamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

405.2913 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.29858 204.4
[M+Na]+ 428.28052 204.3
[M-H]- 404.28402 200.4
[M+NH4]+ 423.32512 212.8
[M+K]+ 444.25446 199.2
[M+H-H2O]+ 388.28856 196.6
[M+HCOO]- 450.28950 216.3
[M+CH3COO]- 464.30515 223.9
[M+Na-2H]- 426.26597 200.8
[M]+ 405.29075 212.9
[M]- 405.29185 212.9
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

patents stripe