CID 3024375

10-(2-(4-methyl-1-piperazinyl)propyl)phenothiazine

Structural Information

Molecular Formula
C20H25N3S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N4CCN(CC4)C
InChI
InChI=1S/C20H25N3S/c1-16(22-13-11-21(2)12-14-22)15-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-10,16H,11-15H2,1-2H3
InChIKey
SNPZNRJWQIUNDW-UHFFFAOYSA-N
Compound name
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1769 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.184176 179.8
[M+Na]+ 362.166118 185.2
[M-H]- 338.169624 182.3
[M+NH4]+ 357.210723 191.4
[M+K]+ 378.140058 178.6
[M+H-H2O]+ 322.174160 169.4
[M+HCOO]- 384.175101 186.0
[M+CH3COO]- 398.190751 187.5
[M+Na-2H]- 360.151566 181.2
[M]+ 339.17635142 177.0
[M]- 339.17744858 177.0
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.