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

2
References

52
Patents

268.145 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.