CID 454850

3phs-2indolconme2

Structural Information

Molecular Formula
C17H16N2OS
SMILES
CN(C)C(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3
InChI
InChI=1S/C17H16N2OS/c1-19(2)17(20)15-16(21-12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-15/h3-11,18H,1-2H3
InChIKey
GDQZRUUETIUNRL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenylsulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 167.8
[M+Na]+ 319.08755 176.7
[M-H]- 295.09105 175.0
[M+NH4]+ 314.13215 185.1
[M+K]+ 335.06149 171.5
[M+H-H2O]+ 279.09559 160.4
[M+HCOO]- 341.09653 186.4
[M+CH3COO]- 355.11218 179.8
[M+Na-2H]- 317.07300 170.0
[M]+ 296.09778 171.6
[M]- 296.09888 171.6
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.