CID 69500

Phenothiazine, 1-(n,n-diethylglycyl)-

Structural Information

Molecular Formula
C18H20N2OS
SMILES
CCN(CC)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H20N2OS/c1-3-19(4-2)13-18(21)20-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)20/h5-12H,3-4,13H2,1-2H3
InChIKey
BPWOKDWTZDTHNX-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

312.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 170.6
[M+Na]+ 335.11886 183.9
[M+NH4]+ 330.16346 180.2
[M+K]+ 351.09280 173.7
[M-H]- 311.12236 175.0
[M+Na-2H]- 333.10431 177.0
[M]+ 312.12909 174.3
[M]- 312.13019 174.3
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