CID 9571029

Brn 0612353

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CCO/C=N/N1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H11N3O2/c1-2-16-8-13-14-7-12-10-6-4-3-5-9(10)11(14)15/h3-8H,2H2,1H3/b13-8+
InChIKey
LLVMHLZYKXPCBA-MDWZMJQESA-N
Compound name
ethyl (1E)-N-(4-oxoquinazolin-3-yl)methanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 144.5
[M+Na]+ 240.07435 154.5
[M-H]- 216.07785 148.0
[M+NH4]+ 235.11895 162.0
[M+K]+ 256.04829 151.5
[M+H-H2O]+ 200.08239 136.0
[M+HCOO]- 262.08333 169.0
[M+CH3COO]- 276.09898 191.7
[M+Na-2H]- 238.05980 154.4
[M]+ 217.08458 148.2
[M]- 217.08568 148.2
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.