CID 44153531

71205-37-3

Structural Information

Molecular Formula
C15H15NO8S2
SMILES
CC(=O)N(C1=CC=CC2=C1C=CC(=C2OC(=O)C)S(=O)(=O)O)S(=O)(=O)C
InChI
InChI=1S/C15H15NO8S2/c1-9(17)16(25(3,19)20)13-6-4-5-12-11(13)7-8-14(26(21,22)23)15(12)24-10(2)18/h4-8H,1-3H3,(H,21,22,23)
InChIKey
CJALSQWCHZBHRE-UHFFFAOYSA-N
Compound name
5-[acetyl(methylsulfonyl)amino]-1-acetyloxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.0239 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.03118 183.4
[M+Na]+ 424.01312 189.5
[M-H]- 400.01662 187.0
[M+NH4]+ 419.05772 194.7
[M+K]+ 439.98706 187.4
[M+H-H2O]+ 384.02116 177.1
[M+HCOO]- 446.02210 192.1
[M+CH3COO]- 460.03775 218.0
[M+Na-2H]- 421.99857 188.0
[M]+ 401.02335 191.6
[M]- 401.02445 191.6
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.