CID 3056139

73426-15-0

Structural Information

Molecular Formula
C19H27N3OS
SMILES
CCN(CC)C(=O)CN1C2=CC=CC=C2C3=C1SCCC3CCN
InChI
InChI=1S/C19H27N3OS/c1-3-21(4-2)17(23)13-22-16-8-6-5-7-15(16)18-14(9-11-20)10-12-24-19(18)22/h5-8,14H,3-4,9-13,20H2,1-2H3
InChIKey
XXKXWHKKHODNDF-UHFFFAOYSA-N
Compound name
2-[4-(2-aminoethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.18747 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19475 181.7
[M+Na]+ 368.17669 191.4
[M+NH4]+ 363.22129 190.0
[M+K]+ 384.15063 184.0
[M-H]- 344.18019 185.0
[M+Na-2H]- 366.16214 184.8
[M]+ 345.18692 184.3
[M]- 345.18802 184.3
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.