CID 212889

25339-04-2

Structural Information

Molecular Formula
C26H23N3O6S2
SMILES
COC1=C(C=C2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4)NC2=C1OC)S(=O)(=O)NC5=CC=CC=C5
InChI
InChI=1S/C26H23N3O6S2/c1-34-25-23(37(32,33)29-18-11-7-4-8-12-18)16-21-20-15-19(13-14-22(20)27-24(21)26(25)35-2)36(30,31)28-17-9-5-3-6-10-17/h3-16,27-29H,1-2H3
InChIKey
VFYQMNFYTUHBNA-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-3-N,6-N-diphenyl-9H-carbazole-3,6-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.10284 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.11012 222.6
[M+Na]+ 560.09206 230.4
[M-H]- 536.09556 231.2
[M+NH4]+ 555.13666 229.1
[M+K]+ 576.06600 224.1
[M+H-H2O]+ 520.10010 214.7
[M+HCOO]- 582.10104 233.4
[M+CH3COO]- 596.11669 229.7
[M+Na-2H]- 558.07751 231.1
[M]+ 537.10229 230.0
[M]- 537.10339 230.0
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

No patent data available for this compound.