CID 3064146

101976-45-8

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CN1CCCC(C1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)OC
InChI
InChI=1S/C19H22N2OS/c1-20-11-5-6-14(13-20)21-16-7-3-4-8-18(16)23-19-10-9-15(22-2)12-17(19)21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3
InChIKey
KOKXQKMPRYOMBT-UHFFFAOYSA-N
Compound name
2-methoxy-10-(1-methylpiperidin-3-yl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 175.1
[M+Na]+ 349.13452 182.0
[M-H]- 325.13802 179.6
[M+NH4]+ 344.17912 189.0
[M+K]+ 365.10846 176.0
[M+H-H2O]+ 309.14256 165.5
[M+HCOO]- 371.14350 184.2
[M+CH3COO]- 385.15915 184.3
[M+Na-2H]- 347.11997 177.5
[M]+ 326.14475 173.9
[M]- 326.14585 173.9
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