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

literature stripe

Patent stripe

patents stripe