CID 3021452

Brn 4580094

Structural Information

Molecular Formula
C24H22N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CNCCC4=CC=CC=C4
InChI
InChI=1S/C24H22N2O2S/c1-17(27)19-11-12-23-21(15-19)26(20-9-5-6-10-22(20)29-23)24(28)16-25-14-13-18-7-3-2-4-8-18/h2-12,15,25H,13-14,16H2,1H3
InChIKey
MBZNVOMAVQLQKF-UHFFFAOYSA-N
Compound name
1-(2-acetylphenothiazin-10-yl)-2-(2-phenylethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14748 193.3
[M+Na]+ 425.12942 207.7
[M+NH4]+ 420.17402 201.9
[M+K]+ 441.10336 196.6
[M-H]- 401.13292 199.1
[M+Na-2H]- 423.11487 201.1
[M]+ 402.13965 197.6
[M]- 402.14075 197.6
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.