CID 475659

Chembl299235

Structural Information

Molecular Formula
C19H19NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C19H19NO4S/c1-14-3-9-18(10-4-14)25(22,23)20-12-11-16(13-20)19(21)15-5-7-17(24-2)8-6-15/h3-13,19,21H,1-2H3
InChIKey
OEWOSWUCYUHMQM-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.110776 183.2
[M+Na]+ 380.092718 191.5
[M-H]- 356.096224 191.4
[M+NH4]+ 375.137323 196.1
[M+K]+ 396.066658 186.7
[M+H-H2O]+ 340.100760 175.5
[M+HCOO]- 402.101701 198.9
[M+CH3COO]- 416.117351 208.1
[M+Na-2H]- 378.078166 183.3
[M]+ 357.10295142 187.6
[M]- 357.10404858 187.6
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.