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

7
Patents

312.16602 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.173296 172.0
[M+Na]+ 335.155238 178.2
[M-H]- 311.158744 176.2
[M+NH4]+ 330.199843 188.5
[M+K]+ 351.129178 173.0
[M+H-H2O]+ 295.163280 163.5
[M+HCOO]- 357.164221 186.5
[M+CH3COO]- 371.179871 182.2
[M+Na-2H]- 333.140686 176.3
[M]+ 312.16547142 175.6
[M]- 312.16656858 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