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]+ 318.217606 178.4
[M+Na]+ 340.199548 185.4
[M-H]- 316.203054 180.9
[M+NH4]+ 335.244153 192.0
[M+K]+ 356.173488 182.0
[M+H-H2O]+ 300.207590 168.7
[M+HCOO]- 362.208531 199.1
[M+CH3COO]- 376.224181 216.1
[M+Na-2H]- 338.184996 182.5
[M]+ 317.20978142 185.0
[M]- 317.21087858 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.