CID 12598

Butaperazine

Structural Information

Molecular Formula
C24H31N3OS
SMILES
CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
InChI
InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
InChIKey
DVLBYTMYSMAKHP-UHFFFAOYSA-N
Compound name
1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

29
References

2415
Patents

409.21878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22606 200.1
[M+Na]+ 432.20800 213.8
[M+NH4]+ 427.25260 208.2
[M+K]+ 448.18194 202.2
[M-H]- 408.21150 204.4
[M+Na-2H]- 430.19345 205.0
[M]+ 409.21823 203.8
[M]- 409.21933 203.8
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

patents stripe