CID 200112

Largon hydrochloride

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CCC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C(C)CN(C)C
InChI
InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-17-20(12-15)24-19-9-7-6-8-16(19)22(17)14(2)13-21(3)4/h6-12,14H,5,13H2,1-4H3
InChIKey
ZOBQPLCCWDGTCX-UHFFFAOYSA-N
Compound name
1-[10-[1-(dimethylamino)propan-2-yl]phenothiazin-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.16095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 179.2
[M+Na]+ 363.15017 192.0
[M+NH4]+ 358.19477 188.3
[M+K]+ 379.12411 182.4
[M-H]- 339.15367 183.3
[M+Na-2H]- 361.13562 184.6
[M]+ 340.16040 182.8
[M]- 340.16150 182.8
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

patents stripe