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 179.7
[M+Na]+ 363.15017 185.5
[M-H]- 339.15367 184.1
[M+NH4]+ 358.19477 194.8
[M+K]+ 379.12411 181.3
[M+H-H2O]+ 323.15821 171.4
[M+HCOO]- 385.15915 192.0
[M+CH3COO]- 399.17480 220.5
[M+Na-2H]- 361.13562 180.8
[M]+ 340.16040 183.5
[M]- 340.16150 183.5
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