CID 388216

Nsc682810

Structural Information

Molecular Formula
C26H22N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C3=CC4=C(C=C3)C=CN4S(=O)(=O)C5=CC=C(C=C5)C
InChI
InChI=1S/C26H22N2O4S2/c1-19-3-9-24(10-4-19)33(29,30)27-15-13-23(18-27)22-8-7-21-14-16-28(26(21)17-22)34(31,32)25-11-5-20(2)6-12-25/h3-18H,1-2H3
InChIKey
QCZFWHHUTPZNLT-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-6-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1021 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10938 222.4
[M+Na]+ 513.09132 234.6
[M-H]- 489.09482 235.5
[M+NH4]+ 508.13592 232.7
[M+K]+ 529.06526 227.5
[M+H-H2O]+ 473.09936 215.6
[M+HCOO]- 535.10030 234.3
[M+CH3COO]- 549.11595 232.0
[M+Na-2H]- 511.07677 222.6
[M]+ 490.10155 230.5
[M]- 490.10265 230.5
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.