CID 3064721

105432-30-2

Structural Information

Molecular Formula
C23H30N4OS
SMILES
CN1CCN(CC1)CCCNCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C23H30N4OS/c1-25-15-17-26(18-16-25)14-6-12-24-13-11-23(28)27-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)27/h2-5,7-10,24H,6,11-18H2,1H3
InChIKey
XIZYBLNGAFYIJS-UHFFFAOYSA-N
Compound name
3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.21402 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22130 196.6
[M+Na]+ 433.20324 199.8
[M-H]- 409.20674 198.3
[M+NH4]+ 428.24784 204.7
[M+K]+ 449.17718 192.6
[M+H-H2O]+ 393.21128 185.4
[M+HCOO]- 455.21222 203.1
[M+CH3COO]- 469.22787 202.3
[M+Na-2H]- 431.18869 197.9
[M]+ 410.21347 194.7
[M]- 410.21457 194.7
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.