CID 6444709

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

Structural Information

Molecular Formula
C21H25NS
SMILES
CC(C)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C21H25NS/c1-15(2)16-11-12-21-19(14-16)17(9-7-13-22(3)4)18-8-5-6-10-20(18)23-21/h5-6,8-12,14-15H,7,13H2,1-4H3/b17-9+
InChIKey
QYQRZUFCHQJONE-RQZCQDPDSA-N
Compound name
(3E)-N,N-dimethyl-3-(2-propan-2-ylthioxanthen-9-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17078 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17806 176.3
[M+Na]+ 346.16000 182.4
[M-H]- 322.16350 182.0
[M+NH4]+ 341.20460 193.8
[M+K]+ 362.13394 177.0
[M+H-H2O]+ 306.16804 168.7
[M+HCOO]- 368.16898 190.4
[M+CH3COO]- 382.18463 217.4
[M+Na-2H]- 344.14545 177.7
[M]+ 323.17023 179.1
[M]- 323.17133 179.1
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.