CID 482987

7-(1,3-dioxoisoindolin-2-yl)-4-hydroxy-naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C18H11NO6S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O
InChI
InChI=1S/C18H11NO6S/c20-16-9-12(26(23,24)25)8-10-7-11(5-6-13(10)16)19-17(21)14-3-1-2-4-15(14)18(19)22/h1-9,20H,(H,23,24,25)
InChIKey
DUZGHXCBPXRAAV-UHFFFAOYSA-N
Compound name
7-(1,3-dioxoisoindol-2-yl)-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.03798 181.7
[M+Na]+ 392.01992 192.8
[M-H]- 368.02342 187.7
[M+NH4]+ 387.06452 195.8
[M+K]+ 407.99386 187.4
[M+H-H2O]+ 352.02796 175.9
[M+HCOO]- 414.02890 194.4
[M+CH3COO]- 428.04455 209.3
[M+Na-2H]- 390.00537 185.1
[M]+ 369.03015 186.4
[M]- 369.03125 186.4
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.