CID 3040065

Brn 1609636

Structural Information

Molecular Formula
C20H15NO8S
SMILES
COC1=CC(=O)C2=C(C1=O)N(C3=CC(=C(C=C32)O)OC)C4=CC=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C20H15NO8S/c1-28-16-8-13-12(7-14(16)22)18-15(23)9-17(29-2)20(24)19(18)21(13)10-3-5-11(6-4-10)30(25,26)27/h3-9,22H,1-2H3,(H,25,26,27)
InChIKey
QBOWPZYKLDVKCB-UHFFFAOYSA-N
Compound name
4-(6-hydroxy-2,7-dimethoxy-1,4-dioxocarbazol-9-yl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.05185 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.05913 195.8
[M+Na]+ 452.04107 207.2
[M-H]- 428.04457 202.3
[M+NH4]+ 447.08567 207.5
[M+K]+ 468.01501 203.4
[M+H-H2O]+ 412.04911 189.4
[M+HCOO]- 474.05005 209.1
[M+CH3COO]- 488.06570 222.4
[M+Na-2H]- 450.02652 198.5
[M]+ 429.05130 205.9
[M]- 429.05240 205.9
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.