CID 374532

Nsc652283

Structural Information

Molecular Formula
C15H18N2OS2
SMILES
CCC(=O)NCC1(SCCS1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H18N2OS2/c1-2-14(18)17-10-15(19-7-8-20-15)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16H,2,7-8,10H2,1H3,(H,17,18)
InChIKey
JODWRPCHUUUVAU-UHFFFAOYSA-N
Compound name
N-[[2-(1H-indol-3-yl)-1,3-dithiolan-2-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08606 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09334 167.4
[M+Na]+ 329.07528 175.8
[M-H]- 305.07878 172.4
[M+NH4]+ 324.11988 187.6
[M+K]+ 345.04922 170.1
[M+H-H2O]+ 289.08332 162.5
[M+HCOO]- 351.08426 179.1
[M+CH3COO]- 365.09991 178.4
[M+Na-2H]- 327.06073 167.9
[M]+ 306.08551 169.1
[M]- 306.08661 169.1
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.