CID 16050439

Schembl4311159

Structural Information

Molecular Formula
C14H15ClN2O3S
SMILES
C1CCC(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C14H15ClN2O3S/c15-8-5-6-11-10(7-8)13(12(17-11)14(16)18)21(19,20)9-3-1-2-4-9/h5-7,9,17H,1-4H2,(H2,16,18)
InChIKey
KOVUXZJDOPRJPU-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclopentylsulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.0492 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05648 174.6
[M+Na]+ 349.03842 184.3
[M-H]- 325.04192 180.4
[M+NH4]+ 344.08302 192.4
[M+K]+ 365.01236 178.2
[M+H-H2O]+ 309.04646 170.2
[M+HCOO]- 371.04740 185.5
[M+CH3COO]- 385.06305 200.7
[M+Na-2H]- 347.02387 173.7
[M]+ 326.04865 176.8
[M]- 326.04975 176.8
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

patents stripe