CID 162133

20161-55-1

Structural Information

Molecular Formula

C₁₆H₁₈N₃O

SMILES

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3O2

InChI

InChI=1S/C16H18N3O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1

InChIKey

UBCDJJVKIKCNOB-UHFFFAOYSA-N

Compound name

[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 268.145 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.15228	162.1
[M+Na]+	291.13422	170.6
[M-H]-	267.13772	170.0
[M+NH4]+	286.17882	178.6
[M+K]+	307.10816	163.4
[M+H-H2O]+	251.14226	155.8
[M+HCOO]-	313.14320	184.6
[M+CH3COO]-	327.15885	204.0
[M+Na-2H]-	289.11967	172.9
[M]+	268.14445	164.5
[M]-	268.14555	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe