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 145.4
[M+Na]+ 240.07435 159.7
[M+NH4]+ 235.11895 153.1
[M+K]+ 256.04829 152.3
[M-H]- 216.07785 147.5
[M+Na-2H]- 238.05980 152.9
[M]+ 217.08458 147.9
[M]- 217.08568 147.9
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.