CID 114334

63834-14-0

Structural Information

Molecular Formula
C18H20N2S
SMILES
CN1CCC(CC1)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C18H20N2S/c1-19-12-10-14(11-13-19)20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
InChIKey
SHIGCOJUQXBINS-UHFFFAOYSA-N
Compound name
10-(1-methylpiperidin-4-yl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.1347 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14198 166.5
[M+Na]+ 319.12392 173.3
[M-H]- 295.12742 170.9
[M+NH4]+ 314.16852 181.4
[M+K]+ 335.09786 166.8
[M+H-H2O]+ 279.13196 157.1
[M+HCOO]- 341.13290 175.9
[M+CH3COO]- 355.14855 176.0
[M+Na-2H]- 317.10937 170.0
[M]+ 296.13415 163.2
[M]- 296.13525 163.2
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

patents stripe