CID 3064149

101976-48-1

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CN1CCCC(C1)CN2C3=C(C=C(C=C3)OC)SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2OS/c1-21-11-5-6-15(13-21)14-22-17-7-3-4-8-19(17)24-20-12-16(23-2)9-10-18(20)22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
InChIKey
CNRIXYDXYSOWJI-UHFFFAOYSA-N
Compound name
3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

340.16095 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.168226 179.4
[M+Na]+ 363.150168 185.8
[M-H]- 339.153674 183.7
[M+NH4]+ 358.194773 192.7
[M+K]+ 379.124108 179.6
[M+H-H2O]+ 323.158210 169.6
[M+HCOO]- 385.159151 188.1
[M+CH3COO]- 399.174801 188.1
[M+Na-2H]- 361.135616 181.3
[M]+ 340.16040142 178.5
[M]- 340.16149858 178.5
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