CID 199289

Brn 4147865

Structural Information

Molecular Formula
C19H18ClNS
SMILES
CN1CCC(=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CC1
InChI
InChI=1S/C19H18ClNS/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19/h2-7,12H,8-11H2,1H3
InChIKey
BLGMFJSWCUYAKO-UHFFFAOYSA-N
Compound name
4-(2-chlorothioxanthen-9-ylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

327.08484 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09212 172.7
[M+Na]+ 350.07406 180.9
[M-H]- 326.07756 178.6
[M+NH4]+ 345.11866 189.0
[M+K]+ 366.04800 172.7
[M+H-H2O]+ 310.08210 164.9
[M+HCOO]- 372.08304 178.6
[M+CH3COO]- 386.09869 182.6
[M+Na-2H]- 348.05951 174.5
[M]+ 327.08429 171.1
[M]- 327.08539 171.1
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

patents stripe