CID 3044265

Brn 1122749

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC12C3=NC4=CC=CC=C4N3CC(O1)CO2
InChI
InChI=1S/C12H12N2O2/c1-12-11-13-9-4-2-3-5-10(9)14(11)6-8(16-12)7-15-12/h2-5,8H,6-7H2,1H3
InChIKey
FBXBEHXSOUAAIH-UHFFFAOYSA-N
Compound name
1-methyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 142.1
[M+Na]+ 239.07909 153.6
[M-H]- 215.08259 146.4
[M+NH4]+ 234.12369 164.8
[M+K]+ 255.05303 152.1
[M+H-H2O]+ 199.08713 136.0
[M+HCOO]- 261.08807 159.5
[M+CH3COO]- 275.10372 156.1
[M+Na-2H]- 237.06454 150.9
[M]+ 216.08932 146.2
[M]- 216.09042 146.2
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.