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]+ 317.131816 167.9
[M+Na]+ 339.113758 174.5
[M-H]- 315.117264 171.5
[M+NH4]+ 334.158363 183.2
[M+K]+ 355.087698 165.3
[M+H-H2O]+ 299.121800 165.1
[M+HCOO]- 361.122741 180.8
[M+CH3COO]- 375.138391 202.5
[M+Na-2H]- 337.099206 175.4
[M]+ 316.12399142 168.0
[M]- 316.12508858 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.