CID 487194

10-([?]ylmethyl)phenothiazine

Structural Information

Molecular Formula
C21H22N2S
SMILES
C1CC23C1CC(N2CC3)CN4C5=CC=CC=C5SC6=CC=CC=C64
InChI
InChI=1S/C21H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)24-19)14-16-13-15-9-10-21(15)11-12-23(16)21/h1-8,15-16H,9-14H2
InChIKey
VUUGQYVIQICWIC-UHFFFAOYSA-N
Compound name
10-(4-azatricyclo[5.2.0.01,4]nonan-5-ylmethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.15036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15764 162.1
[M+Na]+ 357.13958 167.2
[M-H]- 333.14308 168.2
[M+NH4]+ 352.18418 167.9
[M+K]+ 373.11352 167.1
[M+H-H2O]+ 317.14762 144.8
[M+HCOO]- 379.14856 169.5
[M+CH3COO]- 393.16421 170.6
[M+Na-2H]- 355.12503 164.6
[M]+ 334.14981 178.1
[M]- 334.15091 178.1
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.