CID 6444704

Cis-2-methyl-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride

Structural Information

Molecular Formula
C19H21NS
SMILES
CC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C19H21NS/c1-14-10-11-19-17(13-14)15(8-6-12-20(2)3)16-7-4-5-9-18(16)21-19/h4-5,7-11,13H,6,12H2,1-3H3/b15-8+
InChIKey
ULIUQVRAYLOAOJ-OVCLIPMQSA-N
Compound name
(3E)-N,N-dimethyl-3-(2-methylthioxanthen-9-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13947 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14675 167.1
[M+Na]+ 318.12869 174.5
[M-H]- 294.13219 173.2
[M+NH4]+ 313.17329 185.9
[M+K]+ 334.10263 169.0
[M+H-H2O]+ 278.13673 159.7
[M+HCOO]- 340.13767 183.0
[M+CH3COO]- 354.15332 178.5
[M+Na-2H]- 316.11414 170.6
[M]+ 295.13892 169.8
[M]- 295.14002 169.8
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.