CID 207261

9-thioxanthenone, 3-methoxy-4-morpholinomethyl-, hydrochloride

Structural Information

Molecular Formula
C19H19NO3S
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3S2)CN4CCOCC4
InChI
InChI=1S/C19H19NO3S/c1-22-16-7-6-14-18(21)13-4-2-3-5-17(13)24-19(14)15(16)12-20-8-10-23-11-9-20/h2-7H,8-12H2,1H3
InChIKey
ATWCZTHRPWSGCT-UHFFFAOYSA-N
Compound name
3-methoxy-4-(morpholin-4-ylmethyl)thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.10855 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11583 175.5
[M+Na]+ 364.09777 184.6
[M-H]- 340.10127 183.1
[M+NH4]+ 359.14237 188.9
[M+K]+ 380.07171 180.3
[M+H-H2O]+ 324.10581 166.5
[M+HCOO]- 386.10675 188.6
[M+CH3COO]- 400.12240 186.3
[M+Na-2H]- 362.08322 180.6
[M]+ 341.10800 179.3
[M]- 341.10910 179.3
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

patents stripe