CID 3064150

101976-49-2

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CN1CCC(CC1)CN2C3=C(C=C(C=C3)OC)SC4=CC=CC=C42
InChI
InChI=1S/C20H24N2OS/c1-21-11-9-15(10-12-21)14-22-17-5-3-4-6-19(17)24-20-13-16(23-2)7-8-18(20)22/h3-8,13,15H,9-12,14H2,1-2H3
InChIKey
HMZOSFTWIYZBTQ-UHFFFAOYSA-N
Compound name
3-methoxy-10-[(1-methylpiperidin-4-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

5.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.