CID 200024

Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H27N3OS
SMILES
CN1CCN(CC1)CCCSN2C3=C(COCC3)C4=CC=CC=C42
InChI
InChI=1S/C19H27N3OS/c1-20-9-11-21(12-10-20)8-4-14-24-22-18-6-3-2-5-16(18)17-15-23-13-7-19(17)22/h2-3,5-6H,4,7-15H2,1H3
InChIKey
CSKHMLDNNLLSOZ-UHFFFAOYSA-N
Compound name
5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.18747 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19475 181.8
[M+Na]+ 368.17669 195.0
[M+NH4]+ 363.22129 190.8
[M+K]+ 384.15063 186.3
[M-H]- 344.18019 187.0
[M+Na-2H]- 366.16214 185.9
[M]+ 345.18692 185.7
[M]- 345.18802 185.7
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.