CID 64062

35729-52-3

Structural Information

Molecular Formula
C20H31N3O2
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CCCCN(CC)CC
InChI
InChI=1S/C20H31N3O2/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,4-9,12-14H2,1-3H3
InChIKey
SEWDAYGPYMIIIF-UHFFFAOYSA-N
Compound name
7-butoxy-3-[4-(diethylamino)butyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.24164 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24892 187.5
[M+Na]+ 368.23086 193.6
[M-H]- 344.23436 189.6
[M+NH4]+ 363.27546 199.9
[M+K]+ 384.20480 189.7
[M+H-H2O]+ 328.23890 177.3
[M+HCOO]- 390.23984 207.5
[M+CH3COO]- 404.25549 222.1
[M+Na-2H]- 366.21631 190.6
[M]+ 345.24109 194.8
[M]- 345.24219 194.8
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.