CID 63768

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

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC
InChI
InChI=1S/C20H27N3O2/c1-4-7-14-25-17-10-11-18-19(15-17)21-16-23(20(18)24)13-9-8-12-22(5-2)6-3/h10-11,15-16H,4-7,12-14H2,1-3H3
InChIKey
INVLSFOCOCOSRJ-UHFFFAOYSA-N
Compound name
7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 181.1
[M+Na]+ 364.19955 189.6
[M-H]- 340.20305 181.0
[M+NH4]+ 359.24415 191.8
[M+K]+ 380.17349 183.6
[M+H-H2O]+ 324.20759 165.2
[M+HCOO]- 386.20853 195.4
[M+CH3COO]- 400.22418 223.2
[M+Na-2H]- 362.18500 183.1
[M]+ 341.20978 181.0
[M]- 341.21088 181.0
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.