CID 135409305

179688-29-0

Structural Information

Molecular Formula
C14H18N2O5
SMILES
COCCOC1=C(C=C2C(=C1)C(=O)NC=N2)OCCOC
InChI
InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKey
PMQWTUWLIGJTQD-UHFFFAOYSA-N
Compound name
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

190
Patents

294.12158 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 164.6
[M+Na]+ 317.110798 173.2
[M-H]- 293.114304 165.1
[M+NH4]+ 312.155403 177.9
[M+K]+ 333.084738 170.5
[M+H-H2O]+ 277.118840 155.9
[M+HCOO]- 339.119781 184.3
[M+CH3COO]- 353.135431 199.8
[M+Na-2H]- 315.096246 171.0
[M]+ 294.12103142 171.8
[M]- 294.12212858 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe