CID 23896

Imiclopazine

Structural Information

Molecular Formula
C25H32ClN5OS
SMILES
CN1CCN(C1=O)CCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C25H32ClN5OS/c1-27-11-17-30(25(27)32)18-16-29-14-12-28(13-15-29)9-4-10-31-21-5-2-3-6-23(21)33-24-8-7-20(26)19-22(24)31/h2-3,5-8,19H,4,9-18H2,1H3
InChIKey
OCDYNPAUUKDNOR-UHFFFAOYSA-N
Compound name
1-[2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

163
Patents

485.2016 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.208876 218.9
[M+Na]+ 508.190818 224.9
[M-H]- 484.194324 221.6
[M+NH4]+ 503.235423 224.5
[M+K]+ 524.164758 215.8
[M+H-H2O]+ 468.198860 206.6
[M+HCOO]- 530.199801 216.8
[M+CH3COO]- 544.215451 223.3
[M+Na-2H]- 506.176266 212.9
[M]+ 485.20105142 218.6
[M]- 485.20214858 218.6
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