CID 11473003

2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate

Structural Information

Molecular Formula
C12H14NO6PS
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCOP(=O)(O)O
InChI
InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
InChIKey
FCROUVVWZFPGFM-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylsulfonylamino)ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

331.02795 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03523 167.5
[M+Na]+ 354.01717 173.5
[M-H]- 330.02067 167.8
[M+NH4]+ 349.06177 181.0
[M+K]+ 369.99111 170.4
[M+H-H2O]+ 314.02521 158.8
[M+HCOO]- 376.02615 187.6
[M+CH3COO]- 390.04180 201.0
[M+Na-2H]- 352.00262 173.2
[M]+ 331.02740 171.4
[M]- 331.02850 171.4
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