CID 506854

1h-indole-2-carboxamide, 5-chloro-3-[[4-(1,1-dimethylethyl)phenyl]thio]-

Structural Information

Molecular Formula
C19H19ClN2OS
SMILES
CC(C)(C)C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C19H19ClN2OS/c1-19(2,3)11-4-7-13(8-5-11)24-17-14-10-12(20)6-9-15(14)22-16(17)18(21)23/h4-10,22H,1-3H3,(H2,21,23)
InChIKey
WTVZMJLLQMQJSL-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

358.09067 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09795 185.3
[M+Na]+ 381.07989 195.8
[M-H]- 357.08339 191.0
[M+NH4]+ 376.12449 200.7
[M+K]+ 397.05383 187.6
[M+H-H2O]+ 341.08793 179.4
[M+HCOO]- 403.08887 195.8
[M+CH3COO]- 417.10452 195.9
[M+Na-2H]- 379.06534 185.2
[M]+ 358.09012 190.0
[M]- 358.09122 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.