CID 475652

Chembl59226

Structural Information

Molecular Formula
C19H17Cl2NO3S
SMILES
CCC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H17Cl2NO3S/c1-2-13-3-6-16(7-4-13)26(24,25)22-10-9-14(12-22)19(23)17-8-5-15(20)11-18(17)21/h3-12,19,23H,2H2,1H3
InChIKey
JDBLIKJYUHYRPZ-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-[1-(4-ethylphenyl)sulfonylpyrrol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0306 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.03788 191.5
[M+Na]+ 432.01982 201.8
[M-H]- 408.02332 199.5
[M+NH4]+ 427.06442 204.3
[M+K]+ 447.99376 194.2
[M+H-H2O]+ 392.02786 185.2
[M+HCOO]- 454.02880 197.5
[M+CH3COO]- 468.04445 214.7
[M+Na-2H]- 430.00527 189.8
[M]+ 409.03005 198.4
[M]- 409.03115 198.4
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.