CID 34639

29573-90-8

Structural Information

Molecular Formula
C20H22ClN3O2S
SMILES
C1CN(CCN1CCO)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H22ClN3O2S/c21-15-5-6-19-17(13-15)24(16-3-1-2-4-18(16)27-19)20(26)14-23-9-7-22(8-10-23)11-12-25/h1-6,13,25H,7-12,14H2
InChIKey
QAIGXBQKTNJMDG-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.11212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11940 190.2
[M+Na]+ 426.10134 196.5
[M-H]- 402.10484 191.6
[M+NH4]+ 421.14594 199.5
[M+K]+ 442.07528 188.9
[M+H-H2O]+ 386.10938 180.9
[M+HCOO]- 448.11032 190.9
[M+CH3COO]- 462.12597 196.9
[M+Na-2H]- 424.08679 190.8
[M]+ 403.11157 190.3
[M]- 403.11267 190.3
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.