CID 10610

Dimethoxanate

Structural Information

Molecular Formula
C19H22N2O3S
SMILES
CN(C)CCOCCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3
InChIKey
OOVJCSPCMCAXEX-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

520
Patents

358.1351 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14238 182.0
[M+Na]+ 381.12432 187.5
[M-H]- 357.12782 186.1
[M+NH4]+ 376.16892 196.1
[M+K]+ 397.09826 184.2
[M+H-H2O]+ 341.13236 173.2
[M+HCOO]- 403.13330 196.2
[M+CH3COO]- 417.14895 218.3
[M+Na-2H]- 379.10977 185.8
[M]+ 358.13455 188.3
[M]- 358.13565 188.3
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