CID 214576

33492-20-5

Structural Information

Molecular Formula
C23H28ClN3S
SMILES
C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C23H28ClN3S/c24-18-9-10-23-21(16-18)27(20-7-1-2-8-22(20)28-23)13-5-11-25-14-15-26-12-4-3-6-19(26)17-25/h1-2,7-10,16,19H,3-6,11-15,17H2
InChIKey
FHNKNIFPHNDAFS-UHFFFAOYSA-N
Compound name
10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-chlorophenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16925 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17653 194.7
[M+Na]+ 436.15847 199.6
[M-H]- 412.16197 196.6
[M+NH4]+ 431.20307 204.8
[M+K]+ 452.13241 190.9
[M+H-H2O]+ 396.16651 183.3
[M+HCOO]- 458.16745 193.2
[M+CH3COO]- 472.18310 200.4
[M+Na-2H]- 434.14392 195.4
[M]+ 413.16870 191.7
[M]- 413.16980 191.7
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.