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]+ 331.11110 171.8
[M+Na]+ 353.09304 177.4
[M-H]- 329.09654 173.6
[M+NH4]+ 348.13764 185.7
[M+K]+ 369.06698 173.0
[M+H-H2O]+ 313.10108 164.3
[M+HCOO]- 375.10202 183.8
[M+CH3COO]- 389.11767 207.8
[M+Na-2H]- 351.07849 176.1
[M]+ 330.10327 174.1
[M]- 330.10437 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.