CID 25091455

1135334-50-7

Structural Information

Molecular Formula
C17H20N2O2S
SMILES
CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)[N+](C)(C)[O-]
InChI
InChI=1S/C17H20N2O2S/c1-13(19(2,3)20)12-18-14-8-4-6-10-16(14)22(21)17-11-7-5-9-15(17)18/h4-11,13H,12H2,1-3H3
InChIKey
QRSGNSDAZHHAJF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.12454 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13182 167.5
[M+Na]+ 339.11376 182.4
[M+NH4]+ 334.15836 177.2
[M+K]+ 355.08770 175.0
[M-H]- 315.11726 172.3
[M+Na-2H]- 337.09921 173.9
[M]+ 316.12399 171.7
[M]- 316.12509 171.7
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.