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]+ 341.16823 179.4
[M+Na]+ 363.15017 185.8
[M-H]- 339.15367 183.7
[M+NH4]+ 358.19477 192.7
[M+K]+ 379.12411 179.6
[M+H-H2O]+ 323.15821 169.6
[M+HCOO]- 385.15915 188.1
[M+CH3COO]- 399.17480 188.1
[M+Na-2H]- 361.13562 181.3
[M]+ 340.16040 178.5
[M]- 340.16150 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.