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 176.8
[M+Na]+ 387.05407 183.9
[M-H]- 363.05757 178.9
[M+NH4]+ 382.09867 190.6
[M+K]+ 403.02801 178.2
[M+H-H2O]+ 347.06211 170.5
[M+HCOO]- 409.06305 184.3
[M+CH3COO]- 423.07870 212.6
[M+Na-2H]- 385.03952 180.1
[M]+ 364.06430 181.7
[M]- 364.06540 181.7
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.