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]+ 358.11078 183.2
[M+Na]+ 380.09272 191.5
[M-H]- 356.09622 191.4
[M+NH4]+ 375.13732 196.1
[M+K]+ 396.06666 186.7
[M+H-H2O]+ 340.10076 175.5
[M+HCOO]- 402.10170 198.9
[M+CH3COO]- 416.11735 208.1
[M+Na-2H]- 378.07817 183.3
[M]+ 357.10295 187.6
[M]- 357.10405 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.