CID 3066531

Brn 0041855

Structural Information

Molecular Formula
C21H27N3S
SMILES
CCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H27N3S/c1-2-22-14-16-23(17-15-22)12-7-13-24-18-8-3-5-10-20(18)25-21-11-6-4-9-19(21)24/h3-6,8-11H,2,7,12-17H2,1H3
InChIKey
GIOMJPLTUCADCP-UHFFFAOYSA-N
Compound name
10-[3-(4-ethylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.19257 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19985 184.8
[M+Na]+ 376.18179 199.6
[M+NH4]+ 371.22639 194.4
[M+K]+ 392.15573 187.3
[M-H]- 352.18529 190.0
[M+Na-2H]- 374.16724 191.4
[M]+ 353.19202 189.1
[M]- 353.19312 189.1
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.