CID 6446678

N 765 (trans)

Structural Information

Molecular Formula
C20H20ClNS
SMILES
C1CCN(C1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H20ClNS/c21-15-9-10-20-18(14-15)16(7-5-13-22-11-3-4-12-22)17-6-1-2-8-19(17)23-20/h1-2,6-10,14H,3-5,11-13H2/b16-7+
InChIKey
UEMYRXGJSPSWDE-FRKPEAEDSA-N
Compound name
1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1005 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10778 180.3
[M+Na]+ 364.08972 188.5
[M-H]- 340.09322 186.4
[M+NH4]+ 359.13432 197.9
[M+K]+ 380.06366 180.1
[M+H-H2O]+ 324.09776 173.1
[M+HCOO]- 386.09870 188.3
[M+CH3COO]- 400.11435 190.2
[M+Na-2H]- 362.07517 179.9
[M]+ 341.09995 181.1
[M]- 341.10105 181.1
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

No patent data available for this compound.