CID 63159

Brn 0831597

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CCOCC1=NC2=C(C=C(C=C2)N)C(=O)N1C3=CC=CC=C3C
InChI
InChI=1S/C18H19N3O2/c1-3-23-11-17-20-15-9-8-13(19)10-14(15)18(22)21(17)16-7-5-4-6-12(16)2/h4-10H,3,11,19H2,1-2H3
InChIKey
XVDOWDITJCMVSE-UHFFFAOYSA-N
Compound name
6-amino-2-(ethoxymethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 174.6
[M+Na]+ 332.136958 184.7
[M-H]- 308.140464 179.8
[M+NH4]+ 327.181563 187.6
[M+K]+ 348.110898 178.9
[M+H-H2O]+ 292.145000 164.7
[M+HCOO]- 354.145941 195.5
[M+CH3COO]- 368.161591 210.7
[M+Na-2H]- 330.122406 179.4
[M]+ 309.14719142 177.1
[M]- 309.14828858 177.1
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.