CID 19675

Piperacetazine

Structural Information

Molecular Formula
C24H30N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
InChI
InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3
InChIKey
BTFMCMVEUCGQDX-UHFFFAOYSA-N
Compound name
1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

34
References

6462
Patents

410.2028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.210076 198.1
[M+Na]+ 433.192018 201.8
[M-H]- 409.195524 200.1
[M+NH4]+ 428.236623 207.3
[M+K]+ 449.165958 194.6
[M+H-H2O]+ 393.200060 188.1
[M+HCOO]- 455.201001 203.2
[M+CH3COO]- 469.216651 204.1
[M+Na-2H]- 431.177466 197.1
[M]+ 410.20225142 196.9
[M]- 410.20334858 196.9
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