CID 16051885

Schembl4315896

Structural Information

Molecular Formula
C14H15ClN2O3S
SMILES
C1CC1CCS(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C14H15ClN2O3S/c15-9-3-4-11-10(7-9)13(12(17-11)14(16)18)21(19,20)6-5-8-1-2-8/h3-4,7-8,17H,1-2,5-6H2,(H2,16,18)
InChIKey
AYXVFDCVJHJZJT-UHFFFAOYSA-N
Compound name
5-chloro-3-(2-cyclopropylethylsulfonyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.0492 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05648 165.7
[M+Na]+ 349.03842 177.1
[M-H]- 325.04192 171.5
[M+NH4]+ 344.08302 177.1
[M+K]+ 365.01236 169.1
[M+H-H2O]+ 309.04646 160.9
[M+HCOO]- 371.04740 177.6
[M+CH3COO]- 385.06305 204.8
[M+Na-2H]- 347.02387 167.5
[M]+ 326.04865 172.9
[M]- 326.04975 172.9
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