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 181.0
[M+Na]+ 368.17669 187.7
[M-H]- 344.18019 184.9
[M+NH4]+ 363.22129 193.5
[M+K]+ 384.15063 182.9
[M+H-H2O]+ 328.18473 171.8
[M+HCOO]- 390.18567 189.2
[M+CH3COO]- 404.20132 189.8
[M+Na-2H]- 366.16214 181.0
[M]+ 345.18692 181.6
[M]- 345.18802 181.6
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.