CID 83045

10-(beta-diethylaminopropionyl)phenothiazine

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2OS/c1-3-20(4-2)14-13-19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
InChIKey
VKRMTQPPGJINJJ-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.1453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 175.3
[M+Na]+ 349.13452 181.3
[M-H]- 325.13802 179.6
[M+NH4]+ 344.17912 190.9
[M+K]+ 365.10846 176.7
[M+H-H2O]+ 309.14256 166.9
[M+HCOO]- 371.14350 189.1
[M+CH3COO]- 385.15915 214.9
[M+Na-2H]- 347.11997 178.7
[M]+ 326.14475 178.9
[M]- 326.14585 178.9
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

patents stripe