CID 16051880

5-chloro-3-(cyclobutylmethylsulfonyl)-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C14H15ClN2O3S
SMILES
C1CC(C1)CS(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C14H15ClN2O3S/c15-9-4-5-11-10(6-9)13(12(17-11)14(16)18)21(19,20)7-8-2-1-3-8/h4-6,8,17H,1-3,7H2,(H2,16,18)
InChIKey
RDWZRFBBBOROIU-UHFFFAOYSA-N
Compound name
5-chloro-3-(cyclobutylmethylsulfonyl)-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 168.0
[M+Na]+ 349.03842 175.3
[M-H]- 325.04192 172.6
[M+NH4]+ 344.08302 177.2
[M+K]+ 365.01236 172.3
[M+H-H2O]+ 309.04646 156.6
[M+HCOO]- 371.04740 177.4
[M+CH3COO]- 385.06305 205.0
[M+Na-2H]- 347.02387 168.3
[M]+ 326.04865 179.6
[M]- 326.04975 179.6
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

patents stripe