CID 122412

29573-87-3

Structural Information

Molecular Formula
C21H25N3O2S
SMILES
C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CCO
InChI
InChI=1S/C21H25N3O2S/c25-16-15-23-13-11-22(12-14-23)10-9-21(26)24-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)24/h1-8,25H,9-16H2
InChIKey
ZVTOGTPXLAJJDR-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16675 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17403 189.2
[M+Na]+ 406.15597 193.6
[M-H]- 382.15947 190.2
[M+NH4]+ 401.20057 198.0
[M+K]+ 422.12991 186.7
[M+H-H2O]+ 366.16401 178.9
[M+HCOO]- 428.16495 194.2
[M+CH3COO]- 442.18060 195.5
[M+Na-2H]- 404.14142 190.4
[M]+ 383.16620 187.0
[M]- 383.16730 187.0
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.