CID 123393

3-propionylperazine

Structural Information

Molecular Formula
C23H29N3OS
SMILES
CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
InChI
InChI=1S/C23H29N3OS/c1-3-21(27)18-9-10-23-20(17-18)26(19-7-4-5-8-22(19)28-23)12-6-11-25-15-13-24(2)14-16-25/h4-5,7-10,17H,3,6,11-16H2,1-2H3
InChIKey
PKIRPXUYFBVOFQ-UHFFFAOYSA-N
Compound name
1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20312 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.210396 196.0
[M+Na]+ 418.192338 200.9
[M-H]- 394.195844 198.2
[M+NH4]+ 413.236943 205.3
[M+K]+ 434.166278 193.6
[M+H-H2O]+ 378.200380 185.0
[M+HCOO]- 440.201321 201.4
[M+CH3COO]- 454.216971 202.4
[M+Na-2H]- 416.177786 195.3
[M]+ 395.20257142 195.2
[M]- 395.20366858 195.2
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.