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]+ 396.21040 196.0
[M+Na]+ 418.19234 200.9
[M-H]- 394.19584 198.2
[M+NH4]+ 413.23694 205.3
[M+K]+ 434.16628 193.6
[M+H-H2O]+ 378.20038 185.0
[M+HCOO]- 440.20132 201.4
[M+CH3COO]- 454.21697 202.4
[M+Na-2H]- 416.17779 195.3
[M]+ 395.20257 195.2
[M]- 395.20367 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.