CID 197209

1-methyl-4-thieno(2,3-c)(2)benzothiepin-4(9h)-ylidenepiperidine maleate

Structural Information

Molecular Formula
C18H19NS2
SMILES
CN1CCC(=C2C3=C(SCC4=CC=CC=C42)SC=C3)CC1
InChI
InChI=1S/C18H19NS2/c1-19-9-6-13(7-10-19)17-15-5-3-2-4-14(15)12-21-18-16(17)8-11-20-18/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKey
VZWWTHTUQTYAGH-UHFFFAOYSA-N
Compound name
1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

313.0959 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10318 175.3
[M+Na]+ 336.08512 181.1
[M-H]- 312.08862 182.1
[M+NH4]+ 331.12972 192.1
[M+K]+ 352.05906 178.0
[M+H-H2O]+ 296.09316 170.1
[M+HCOO]- 358.09410 181.8
[M+CH3COO]- 372.10975 184.4
[M+Na-2H]- 334.07057 173.3
[M]+ 313.09535 170.2
[M]- 313.09645 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe