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 183.0
[M+Na]+ 354.21520 189.5
[M-H]- 330.21870 185.3
[M+NH4]+ 349.25980 195.9
[M+K]+ 370.18914 185.9
[M+H-H2O]+ 314.22324 173.0
[M+HCOO]- 376.22418 203.3
[M+CH3COO]- 390.23983 219.1
[M+Na-2H]- 352.20065 186.6
[M]+ 331.22543 189.9
[M]- 331.22653 189.9
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.