CID 853900

10-(3-(diethylamino)propyl)phenothiazine

Structural Information

Molecular Formula
C19H24N2S
SMILES
CCN(CC)CCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H24N2S/c1-3-20(4-2)14-9-15-21-16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)21/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKey
TWLIUUWAOPVNEC-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

312.16602 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17330 172.0
[M+Na]+ 335.15524 178.2
[M-H]- 311.15874 176.2
[M+NH4]+ 330.19984 188.5
[M+K]+ 351.12918 173.0
[M+H-H2O]+ 295.16328 163.5
[M+HCOO]- 357.16422 186.5
[M+CH3COO]- 371.17987 182.2
[M+Na-2H]- 333.14069 176.3
[M]+ 312.16547 175.6
[M]- 312.16657 175.6
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

patents stripe