CID 3063105

Thioxanthene-9,9-bis(methylamine), n,n,n',n'-tetramethyl-, dihydrochloride

Structural Information

Molecular Formula
C19H24N2S
SMILES
CN(C)CC1(C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C19H24N2S/c1-20(2)13-19(14-21(3)4)15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5-12H,13-14H2,1-4H3
InChIKey
XIDIIRGFFZEMLZ-UHFFFAOYSA-N
Compound name
1-[9-[(dimethylamino)methyl]thioxanthen-9-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16602 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17330 171.5
[M+Na]+ 335.15524 177.7
[M-H]- 311.15874 178.5
[M+NH4]+ 330.19984 191.4
[M+K]+ 351.12918 174.4
[M+H-H2O]+ 295.16328 163.6
[M+HCOO]- 357.16422 188.5
[M+CH3COO]- 371.17987 182.7
[M+Na-2H]- 333.14069 176.8
[M]+ 312.16547 175.4
[M]- 312.16657 175.4
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.