CID 3064151

101976-50-5

Structural Information

Molecular Formula
C19H22N2S
SMILES
CC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C4CCCN(C4)C
InChI
InChI=1S/C19H22N2S/c1-14-9-10-17-19(12-14)22-18-8-4-3-7-16(18)21(17)15-6-5-11-20(2)13-15/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKey
NBHFJJYNKNZDEA-UHFFFAOYSA-N
Compound name
3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15764 171.6
[M+Na]+ 333.13958 178.8
[M-H]- 309.14308 176.2
[M+NH4]+ 328.18418 186.2
[M+K]+ 349.11352 172.1
[M+H-H2O]+ 293.14762 162.2
[M+HCOO]- 355.14856 180.5
[M+CH3COO]- 369.16421 181.0
[M+Na-2H]- 331.12503 173.8
[M]+ 310.14981 169.0
[M]- 310.15091 169.0
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.