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]+ 313.173296 171.5
[M+Na]+ 335.155238 177.7
[M-H]- 311.158744 178.5
[M+NH4]+ 330.199843 191.4
[M+K]+ 351.129178 174.4
[M+H-H2O]+ 295.163280 163.6
[M+HCOO]- 357.164221 188.5
[M+CH3COO]- 371.179871 182.7
[M+Na-2H]- 333.140686 176.8
[M]+ 312.16547142 175.4
[M]- 312.16656858 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.