CID 212684

2-chloro-4-(4-methylpiperazino)-4,5-dihydrobenzo(b)thieno(3,2-f)thiepin maleate

Structural Information

Molecular Formula
C17H19ClN2S2
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(S4)Cl
InChI
InChI=1S/C17H19ClN2S2/c1-19-6-8-20(9-7-19)14-10-12-4-2-3-5-15(12)21-17-13(14)11-16(18)22-17/h2-5,11,14H,6-10H2,1H3
InChIKey
QMOWMDOJYFKPSE-UHFFFAOYSA-N
Compound name
1-(2-chloro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07508 179.9
[M+Na]+ 373.05702 187.9
[M-H]- 349.06052 185.7
[M+NH4]+ 368.10162 195.3
[M+K]+ 389.03096 184.6
[M+H-H2O]+ 333.06506 173.5
[M+HCOO]- 395.06600 181.3
[M+CH3COO]- 409.08165 188.8
[M+Na-2H]- 371.04247 177.5
[M]+ 350.06725 177.8
[M]- 350.06835 177.8
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.