CID 203719

4-(6-chlorothieno(2,3-c)(2)benzothiepin-4(9h)-ylidene)-1-methylpiperidine maleate

Structural Information

Molecular Formula
C18H18ClNS2
SMILES
CN1CCC(=C2C3=C(SCC4=C2C=C(C=C4)Cl)SC=C3)CC1
InChI
InChI=1S/C18H18ClNS2/c1-20-7-4-12(5-8-20)17-15-6-9-21-18(15)22-11-13-2-3-14(19)10-16(13)17/h2-3,6,9-10H,4-5,7-8,11H2,1H3
InChIKey
CJIDYOVJWHCQJR-UHFFFAOYSA-N
Compound name
4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.05692 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06420 181.7
[M+Na]+ 370.04614 189.4
[M-H]- 346.04964 188.6
[M+NH4]+ 365.09074 198.4
[M+K]+ 386.02008 185.4
[M+H-H2O]+ 330.05418 176.7
[M+HCOO]- 392.05512 184.0
[M+CH3COO]- 406.07077 190.8
[M+Na-2H]- 368.03159 178.8
[M]+ 347.05637 178.7
[M]- 347.05747 178.7
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.