CID 6075

Pecazine

Structural Information

Molecular Formula
C19H22N2S
SMILES
CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKey
CBHCDHNUZWWAPP-UHFFFAOYSA-N
Compound name
10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

136
References

4418
Patents

310.15036 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15764 171.3
[M+Na]+ 333.13958 186.8
[M+NH4]+ 328.18418 182.2
[M+K]+ 349.11352 174.7
[M-H]- 309.14308 177.5
[M+Na-2H]- 331.12503 179.0
[M]+ 310.14981 176.0
[M]- 310.15091 176.0
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