CID 93992

58232-39-6

Structural Information

Molecular Formula
C13H10N2O5S
SMILES
CN1C(=O)C2=CC=CC3=C2C(=CC(=C3N)S(=O)(=O)O)C1=O
InChI
InChI=1S/C13H10N2O5S/c1-15-12(16)7-4-2-3-6-10(7)8(13(15)17)5-9(11(6)14)21(18,19)20/h2-5H,14H2,1H3,(H,18,19,20)
InChIKey
TWYFYMSPRMAKNI-UHFFFAOYSA-N
Compound name
6-amino-2-methyl-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03104 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.038316 164.7
[M+Na]+ 329.020258 175.3
[M-H]- 305.023764 167.0
[M+NH4]+ 324.064863 180.2
[M+K]+ 344.994198 170.9
[M+H-H2O]+ 289.028300 158.8
[M+HCOO]- 351.029241 176.9
[M+CH3COO]- 365.044891 204.6
[M+Na-2H]- 327.005706 170.0
[M]+ 306.03049142 168.3
[M]- 306.03158858 168.3
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.