CID 3024375

P 724

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]+ 340.18418 179.8
[M+Na]+ 362.16612 185.2
[M-H]- 338.16962 182.3
[M+NH4]+ 357.21072 191.4
[M+K]+ 378.14006 178.6
[M+H-H2O]+ 322.17416 169.4
[M+HCOO]- 384.17510 186.0
[M+CH3COO]- 398.19075 187.5
[M+Na-2H]- 360.15157 181.2
[M]+ 339.17635 177.0
[M]- 339.17745 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.