CID 475657

Chembl418634

Structural Information

Molecular Formula
C17H14Cl2N2O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)N2C=CC(=C2)C(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H14Cl2N2O3S/c18-12-1-6-15(16(19)9-12)17(22)11-7-8-21(10-11)25(23,24)14-4-2-13(20)3-5-14/h1-10,17,22H,20H2
InChIKey
IOXARIZJUMAVQO-UHFFFAOYSA-N
Compound name
[1-(4-aminophenyl)sulfonylpyrrol-3-yl]-(2,4-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.01022 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01750 187.3
[M+Na]+ 418.99944 197.5
[M-H]- 395.00294 195.0
[M+NH4]+ 414.04404 199.9
[M+K]+ 434.97338 189.8
[M+H-H2O]+ 379.00748 181.2
[M+HCOO]- 441.00842 194.3
[M+CH3COO]- 455.02407 213.5
[M+Na-2H]- 416.98489 186.4
[M]+ 396.00967 192.0
[M]- 396.01077 192.0
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.