CID 475660

Chembl418282

Structural Information

Molecular Formula
C17H15ClN2O3S
SMILES
C1=CC=C(C=C1)C(C2=CN(C=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)N)O
InChI
InChI=1S/C17H15ClN2O3S/c18-14-6-7-15(19)16(10-14)24(22,23)20-9-8-13(11-20)17(21)12-4-2-1-3-5-12/h1-11,17,21H,19H2
InChIKey
VZIOFADUBLLKMB-UHFFFAOYSA-N
Compound name
[1-(2-amino-5-chlorophenyl)sulfonylpyrrol-3-yl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0492 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05648 181.6
[M+Na]+ 385.03842 190.8
[M-H]- 361.04192 189.5
[M+NH4]+ 380.08302 194.8
[M+K]+ 401.01236 183.9
[M+H-H2O]+ 345.04646 174.7
[M+HCOO]- 407.04740 193.6
[M+CH3COO]- 421.06305 208.2
[M+Na-2H]- 383.02387 181.9
[M]+ 362.04865 184.6
[M]- 362.04975 184.6
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.