CID 199093

3689-38-1

Structural Information

Molecular Formula
C19H21ClN2S
SMILES
CN1CCCC(C1)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H21ClN2S/c1-21-10-4-5-14(12-21)13-22-16-6-2-3-7-18(16)23-19-9-8-15(20)11-17(19)22/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3
InChIKey
HCUMMQCPFIANLM-UHFFFAOYSA-N
Compound name
2-chloro-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

344.1114 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.118676 177.5
[M+Na]+ 367.100618 185.3
[M-H]- 343.104124 181.8
[M+NH4]+ 362.145223 191.6
[M+K]+ 383.074558 177.5
[M+H-H2O]+ 327.108660 168.6
[M+HCOO]- 389.109601 181.9
[M+CH3COO]- 403.125251 186.5
[M+Na-2H]- 365.086066 179.3
[M]+ 344.11085142 177.1
[M]- 344.11194858 177.1
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