CID 3066532

Brn 0041784

Structural Information

Molecular Formula
C21H27N3S
SMILES
CCN1CCN(CC1)C(C)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H27N3S/c1-3-22-12-14-23(15-13-22)17(2)16-24-18-8-4-6-10-20(18)25-21-11-7-5-9-19(21)24/h4-11,17H,3,12-16H2,1-2H3
InChIKey
NJMPBWJSNSMVTD-UHFFFAOYSA-N
Compound name
10-[2-(4-ethylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.19257 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19985 184.1
[M+Na]+ 376.18179 198.5
[M+NH4]+ 371.22639 193.6
[M+K]+ 392.15573 187.0
[M-H]- 352.18529 189.1
[M+Na-2H]- 374.16724 190.5
[M]+ 353.19202 188.2
[M]- 353.19312 188.2
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.