CID 6446664

N 764 (trans)

Structural Information

Molecular Formula
C22H24ClNS
SMILES
CN(CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C4CCCC4
InChI
InChI=1S/C22H24ClNS/c1-24(17-7-2-3-8-17)14-6-10-18-19-9-4-5-11-21(19)25-22-13-12-16(23)15-20(18)22/h4-5,9-13,15,17H,2-3,6-8,14H2,1H3/b18-10+
InChIKey
BEKYLQDYWURTMJ-VCHYOVAHSA-N
Compound name
N-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-N-methylcyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1318 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13908 188.8
[M+Na]+ 392.12102 195.3
[M-H]- 368.12452 197.3
[M+NH4]+ 387.16562 206.8
[M+K]+ 408.09496 187.7
[M+H-H2O]+ 352.12906 181.9
[M+HCOO]- 414.13000 198.8
[M+CH3COO]- 428.14565 198.6
[M+Na-2H]- 390.10647 187.7
[M]+ 369.13125 190.5
[M]- 369.13235 190.5
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.