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 182.4
[M+Na]+ 368.17669 188.4
[M-H]- 344.18019 186.6
[M+NH4]+ 363.22129 199.0
[M+K]+ 384.15063 183.8
[M+H-H2O]+ 328.18473 174.9
[M+HCOO]- 390.18567 197.4
[M+CH3COO]- 404.20132 220.3
[M+Na-2H]- 366.16214 182.1
[M]+ 345.18692 185.9
[M]- 345.18802 185.9
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

No patent data available for this compound.