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
5
Annotation Hits

34
References

6423
Patents

410.2028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21008 198.1
[M+Na]+ 433.19202 201.8
[M-H]- 409.19552 200.1
[M+NH4]+ 428.23662 207.3
[M+K]+ 449.16596 194.6
[M+H-H2O]+ 393.20006 188.1
[M+HCOO]- 455.20100 203.2
[M+CH3COO]- 469.21665 204.1
[M+Na-2H]- 431.17747 197.1
[M]+ 410.20225 196.9
[M]- 410.20335 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.