CID 63450

4(3h)-quinazolinone, 3-(4-(diethylamino)-2-butynyl)-7-methoxy-, oxalate (1:1)

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCN(CC)CC#CCN1C=NC2=C(C1=O)C=CC(=C2)OC
InChI
InChI=1S/C17H21N3O2/c1-4-19(5-2)10-6-7-11-20-13-18-16-12-14(22-3)8-9-15(16)17(20)21/h8-9,12-13H,4-5,10-11H2,1-3H3
InChIKey
QWSQGPZTVKAWJW-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)but-2-ynyl]-7-methoxyquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 169.4
[M+Na]+ 322.152618 179.1
[M-H]- 298.156124 169.8
[M+NH4]+ 317.197223 181.6
[M+K]+ 338.126558 173.7
[M+H-H2O]+ 282.160660 154.1
[M+HCOO]- 344.161601 184.6
[M+CH3COO]- 358.177251 215.3
[M+Na-2H]- 320.138066 172.8
[M]+ 299.16285142 168.3
[M]- 299.16394858 168.3
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.