CID 3064139

P 856

Structural Information

Molecular Formula
C18H19ClN2S
SMILES
CN1CCC(CC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C18H19ClN2S/c1-20-10-8-14(9-11-20)21-15-4-2-3-5-17(15)22-18-7-6-13(19)12-16(18)21/h2-7,12,14H,8-11H2,1H3
InChIKey
NNQMLVRKLTZEOA-UHFFFAOYSA-N
Compound name
2-chloro-10-(1-methylpiperidin-4-yl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.09573 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10301 173.2
[M+Na]+ 353.08495 181.4
[M-H]- 329.08845 177.7
[M+NH4]+ 348.12955 187.9
[M+K]+ 369.05889 173.9
[M+H-H2O]+ 313.09299 164.5
[M+HCOO]- 375.09393 177.9
[M+CH3COO]- 389.10958 182.6
[M+Na-2H]- 351.07040 175.4
[M]+ 330.09518 172.4
[M]- 330.09628 172.4
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