CID 105700

3,7-diamino-2-methoxyphenoxazin-5-ium chloride

Structural Information

Molecular Formula
C13H11N3O2
SMILES
COC1=CC2=NC3=C(C=C(C=C3)N)OC2=CC1=N
InChI
InChI=1S/C13H11N3O2/c1-17-11-6-10-13(5-8(11)15)18-12-4-7(14)2-3-9(12)16-10/h2-6,15H,14H2,1H3
InChIKey
LOOJHTTVANNMFU-UHFFFAOYSA-N
Compound name
7-imino-8-methoxyphenoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 150.9
[M+Na]+ 264.07435 161.8
[M-H]- 240.07785 156.3
[M+NH4]+ 259.11895 167.6
[M+K]+ 280.04829 158.3
[M+H-H2O]+ 224.08239 143.0
[M+HCOO]- 286.08333 173.5
[M+CH3COO]- 300.09898 164.0
[M+Na-2H]- 262.05980 161.0
[M]+ 241.08458 152.3
[M]- 241.08568 152.3
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.