CID 113918

Dimethylaminopropionylphenothiazine

Structural Information

Molecular Formula
C17H18N2OS
SMILES
CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C17H18N2OS/c1-12(18(2)3)17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-12H,1-3H3
InChIKey
POZJNEBUHLZROM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

37
Patents

298.11398 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.121256 166.3
[M+Na]+ 321.103198 172.8
[M-H]- 297.106704 171.0
[M+NH4]+ 316.147803 183.0
[M+K]+ 337.077138 169.2
[M+H-H2O]+ 281.111240 158.5
[M+HCOO]- 343.112181 179.7
[M+CH3COO]- 357.127831 177.0
[M+Na-2H]- 319.088646 169.7
[M]+ 298.11343142 168.7
[M]- 298.11452858 168.7
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