CID 301340

40899-89-6

Structural Information

Molecular Formula
C21H18N2O3S
SMILES
CC(C1=CC=NC=C1)(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C21H18N2O3S/c1-21(24,17-11-13-22-14-12-17)20-15-16-7-5-6-10-19(16)23(20)27(25,26)18-8-3-2-4-9-18/h2-15,24H,1H3
InChIKey
SPWJGMUNZCZADU-UHFFFAOYSA-N
Compound name
1-[1-(benzenesulfonyl)indol-2-yl]-1-pyridin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10382 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11110 190.8
[M+Na]+ 401.09304 200.7
[M-H]- 377.09654 198.7
[M+NH4]+ 396.13764 202.3
[M+K]+ 417.06698 194.1
[M+H-H2O]+ 361.10108 182.5
[M+HCOO]- 423.10202 204.9
[M+CH3COO]- 437.11767 201.0
[M+Na-2H]- 399.07849 196.4
[M]+ 378.10327 194.7
[M]- 378.10437 194.7
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.