CID 3025178

102240-88-0

Structural Information

Molecular Formula
C20H25N3S
SMILES
CCN1CCN(CC1)CCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H25N3S/c1-2-21-11-13-22(14-12-21)15-16-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-10H,2,11-16H2,1H3
InChIKey
YMCGLCVGCYOFBT-UHFFFAOYSA-N
Compound name
10-[2-(4-ethylpiperazin-1-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1769 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18418 180.4
[M+Na]+ 362.16612 195.5
[M+NH4]+ 357.21072 190.3
[M+K]+ 378.14006 183.4
[M-H]- 338.16962 185.7
[M+Na-2H]- 360.15157 187.3
[M]+ 339.17635 184.8
[M]- 339.17745 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.