CID 112992

Einecs 263-812-6

Structural Information

Molecular Formula
C15H20N2O5S2
SMILES
CC(C)(C)NS(=O)(=O)C1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C)O
InChI
InChI=1S/C15H20N2O5S2/c1-15(2,3)17-24(21,22)13-9-8-10-11(14(13)18)6-5-7-12(10)16-23(4,19)20/h5-9,16-18H,1-4H3
InChIKey
BZLLYFGDMLSRAN-UHFFFAOYSA-N
Compound name
N-tert-butyl-1-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.08136 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08864 182.1
[M+Na]+ 395.07058 188.6
[M-H]- 371.07408 184.1
[M+NH4]+ 390.11518 194.3
[M+K]+ 411.04452 183.5
[M+H-H2O]+ 355.07862 175.9
[M+HCOO]- 417.07956 190.8
[M+CH3COO]- 431.09521 214.3
[M+Na-2H]- 393.05603 189.5
[M]+ 372.08081 186.0
[M]- 372.08191 186.0
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