CID 121239

Phenoxazine-10-carbothioic acid, s-(2-(diethylamino)ethyl) ester, hydrochloride

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
CCN(CC)CCSC(=O)N1C2=CC=CC=C2OC3=CC=CC=C31
InChI
InChI=1S/C19H22N2O2S/c1-3-20(4-2)13-14-24-19(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
FXUDMDHYPOLLKY-UHFFFAOYSA-N
Compound name
S-[2-(diethylamino)ethyl] phenoxazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 179.8
[M+Na]+ 365.12942 185.9
[M-H]- 341.13292 184.8
[M+NH4]+ 360.17402 193.5
[M+K]+ 381.10336 182.9
[M+H-H2O]+ 325.13746 171.1
[M+HCOO]- 387.13840 193.1
[M+CH3COO]- 401.15405 216.4
[M+Na-2H]- 363.11487 183.8
[M]+ 342.13965 185.2
[M]- 342.14075 185.2
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

No patent data available for this compound.