CID 3058363

75159-37-4

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC(=O)NCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H11N3O2/c1-8(15)12-6-14-7-13-10-5-3-2-4-9(10)11(14)16/h2-5,7H,6H2,1H3,(H,12,15)
InChIKey
OHFKCXWQLVCWAN-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 145.2
[M+Na]+ 240.07435 154.5
[M-H]- 216.07785 147.5
[M+NH4]+ 235.11895 162.0
[M+K]+ 256.04829 151.2
[M+H-H2O]+ 200.08239 137.3
[M+HCOO]- 262.08333 167.2
[M+CH3COO]- 276.09898 190.0
[M+Na-2H]- 238.05980 153.6
[M]+ 217.08458 146.5
[M]- 217.08568 146.5
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.