CID 136879586

Methoxy(methylamino)[?]one

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CN=C1C=NC2=C3C1=NC=CC3=CC(=C2O)OC
InChI
InChI=1S/C13H11N3O2/c1-14-8-6-16-12-10-7(3-4-15-11(8)10)5-9(18-2)13(12)17/h3-6,17H,1-2H3
InChIKey
UJSXJKAMOMBFJM-UHFFFAOYSA-N
Compound name
11-methoxy-4-methylimino-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaen-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 152.8
[M+Na]+ 264.07435 163.3
[M-H]- 240.07785 155.6
[M+NH4]+ 259.11895 170.3
[M+K]+ 280.04829 159.3
[M+H-H2O]+ 224.08239 144.5
[M+HCOO]- 286.08333 173.2
[M+CH3COO]- 300.09898 165.3
[M+Na-2H]- 262.05980 162.3
[M]+ 241.08458 156.0
[M]- 241.08568 156.0
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.