CID 211952

3,6-di-sulfanilamidocarbazole

Structural Information

Molecular Formula
C24H21N5O4S2
SMILES
C1=CC(=CC=C1N)NS(=O)(=O)C2=CC3=C(C=C2)NC4=C3C=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)N
InChI
InChI=1S/C24H21N5O4S2/c25-15-1-5-17(6-2-15)28-34(30,31)19-9-11-23-21(13-19)22-14-20(10-12-24(22)27-23)35(32,33)29-18-7-3-16(26)4-8-18/h1-14,27-29H,25-26H2
InChIKey
XNUMFOQAKUSRQW-UHFFFAOYSA-N
Compound name
3-N,6-N-bis(4-aminophenyl)-9H-carbazole-3,6-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.1035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.11078 209.2
[M+Na]+ 530.09272 217.2
[M-H]- 506.09622 216.8
[M+NH4]+ 525.13732 216.2
[M+K]+ 546.06666 209.1
[M+H-H2O]+ 490.10076 202.0
[M+HCOO]- 552.10170 221.1
[M+CH3COO]- 566.11735 216.3
[M+Na-2H]- 528.07817 218.9
[M]+ 507.10295 210.8
[M]- 507.10405 210.8
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.