CID 5474692

Nsc 84988

Structural Information

Molecular Formula
C20H22ClNS
SMILES
CCN(CC)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H22ClNS/c1-3-22(4-2)13-7-9-16-17-8-5-6-10-19(17)23-20-12-11-15(21)14-18(16)20/h5-6,8-12,14H,3-4,7,13H2,1-2H3/b16-9+
InChIKey
UPHGTYDNGXFISV-CXUHLZMHSA-N
Compound name
(3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.11615 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12343 179.1
[M+Na]+ 366.10537 194.3
[M+NH4]+ 361.14997 190.1
[M+K]+ 382.07931 181.2
[M-H]- 342.10887 184.9
[M+Na-2H]- 364.09082 186.0
[M]+ 343.11560 184.0
[M]- 343.11670 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.