CID 6444704

Thioxanthene-delta(sup 9,gamma)-propylamine, n,n,2-trimethyl-, hydrochloride, (z)-

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]+ 296.146746 167.1
[M+Na]+ 318.128688 174.5
[M-H]- 294.132194 173.2
[M+NH4]+ 313.173293 185.9
[M+K]+ 334.102628 169.0
[M+H-H2O]+ 278.136730 159.7
[M+HCOO]- 340.137671 183.0
[M+CH3COO]- 354.153321 178.5
[M+Na-2H]- 316.114136 170.6
[M]+ 295.13892142 169.8
[M]- 295.14001858 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.