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 167.9
[M+Na]+ 339.11376 174.5
[M-H]- 315.11726 171.5
[M+NH4]+ 334.15836 183.2
[M+K]+ 355.08770 165.3
[M+H-H2O]+ 299.12180 165.1
[M+HCOO]- 361.12274 180.8
[M+CH3COO]- 375.13839 202.5
[M+Na-2H]- 337.09921 175.4
[M]+ 316.12399 168.0
[M]- 316.12509 168.0
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.