CID 39373

6-(4-methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate

Structural Information

Molecular Formula
C18H19N3S
SMILES
CN1CCN(CC1)C2=CC3=C(N=CC=C3)SC4=CC=CC=C42
InChI
InChI=1S/C18H19N3S/c1-20-9-11-21(12-10-20)16-13-14-5-4-8-19-18(14)22-17-7-3-2-6-15(16)17/h2-8,13H,9-12H2,1H3
InChIKey
KTBUIIAVFVIFEY-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13725 172.7
[M+Na]+ 332.11919 186.5
[M+NH4]+ 327.16379 181.8
[M+K]+ 348.09313 176.8
[M-H]- 308.12269 177.5
[M+Na-2H]- 330.10464 180.1
[M]+ 309.12942 176.8
[M]- 309.13052 176.8
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.