CID 3049783

Brn 1154658

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)N(CCO)CCO
InChI
InChI=1S/C17H18N2O3S/c20-11-9-18(10-12-21)17(22)19-13-5-1-3-7-15(13)23-16-8-4-2-6-14(16)19/h1-8,20-21H,9-12H2
InChIKey
NQYOXQHFLWIPMC-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.111096 171.8
[M+Na]+ 353.093038 177.4
[M-H]- 329.096544 173.6
[M+NH4]+ 348.137643 185.7
[M+K]+ 369.066978 173.0
[M+H-H2O]+ 313.101080 164.3
[M+HCOO]- 375.102021 183.8
[M+CH3COO]- 389.117671 207.8
[M+Na-2H]- 351.078486 176.1
[M]+ 330.10327142 174.1
[M]- 330.10436858 174.1
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.