CID 2887918

309928-51-6

Structural Information

Molecular Formula
C22H21ClN2O3S
SMILES
CS(=O)(=O)N(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H21ClN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3
InChIKey
PGNOCVUAZQJJQH-UHFFFAOYSA-N
Compound name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

428.09613 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.10341 199.7
[M+Na]+ 451.08535 208.8
[M-H]- 427.08885 207.4
[M+NH4]+ 446.12995 213.1
[M+K]+ 467.05929 202.5
[M+H-H2O]+ 411.09339 192.6
[M+HCOO]- 473.09433 210.5
[M+CH3COO]- 487.10998 209.5
[M+Na-2H]- 449.07080 202.9
[M]+ 428.09558 208.3
[M]- 428.09668 208.3
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

patents stripe