CID 63233

7-butoxy-3-(3-(diethylamino)propyl)-4(3h)-quinazolinone oxalate

Structural Information

Molecular Formula
C19H29N3O2
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CCCN(CC)CC
InChI
InChI=1S/C19H29N3O2/c1-4-7-13-24-16-9-10-17-18(14-16)20-15-22(19(17)23)12-8-11-21(5-2)6-3/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKey
DBSQLIKSJPBFBT-UHFFFAOYSA-N
Compound name
7-butoxy-3-[3-(diethylamino)propyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.22598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23326 182.1
[M+Na]+ 354.21520 194.6
[M+NH4]+ 349.25980 188.5
[M+K]+ 370.18914 186.5
[M-H]- 330.21870 184.1
[M+Na-2H]- 352.20065 187.0
[M]+ 331.22543 184.3
[M]- 331.22653 184.3
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.