CID 3049784

Brn 1164798

Structural Information

Molecular Formula
C17H17ClN2O3S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)N(CCO)CCO
InChI
InChI=1S/C17H17ClN2O3S/c18-12-5-6-16-14(11-12)20(13-3-1-2-4-15(13)24-16)17(23)19(7-9-21)8-10-22/h1-6,11,21-22H,7-10H2
InChIKey
WOFGZPMVQMGMBV-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(2-hydroxyethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.06485 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07213 178.9
[M+Na]+ 387.05407 191.5
[M+NH4]+ 382.09867 187.0
[M+K]+ 403.02801 182.5
[M-H]- 363.05757 181.3
[M+Na-2H]- 385.03952 183.4
[M]+ 364.06430 182.1
[M]- 364.06540 182.1
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.