CID 15662541

Fxksimklxmwgef-uhfffaoysa-n

Structural Information

Molecular Formula
C20H22N2S
SMILES
C1CN2CCC1(CC2)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C20H22N2S/c1-3-7-18-16(5-1)22(17-6-2-4-8-19(17)23-18)15-20-9-12-21(13-10-20)14-11-20/h1-8H,9-15H2
InChIKey
FXKSIMKLXMWGEF-UHFFFAOYSA-N
Compound name
10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.15036 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15764 163.5
[M+Na]+ 345.13958 167.1
[M-H]- 321.14308 160.8
[M+NH4]+ 340.18418 182.6
[M+K]+ 361.11352 161.2
[M+H-H2O]+ 305.14762 152.8
[M+HCOO]- 367.14856 164.3
[M+CH3COO]- 381.16421 170.4
[M+Na-2H]- 343.12503 174.6
[M]+ 322.14981 163.7
[M]- 322.15091 163.7
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.