CID 64088

35739-56-1

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CCN(CC)CC
InChI
InChI=1S/C18H27N3O2/c1-4-7-12-23-15-8-9-16-17(13-15)19-14-21(18(16)22)11-10-20(5-2)6-3/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKey
MERAAAKATRLSGM-UHFFFAOYSA-N
Compound name
7-butoxy-3-[2-(diethylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 178.4
[M+Na]+ 340.19955 185.4
[M-H]- 316.20305 180.9
[M+NH4]+ 335.24415 192.0
[M+K]+ 356.17349 182.0
[M+H-H2O]+ 300.20759 168.7
[M+HCOO]- 362.20853 199.1
[M+CH3COO]- 376.22418 216.1
[M+Na-2H]- 338.18500 182.5
[M]+ 317.20978 185.0
[M]- 317.21088 185.0
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.