CID 121212

3-(2-(diethylamino)ethyl)-2,4(1h,3h)-quinazolinedione hydrochloride

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C14H19N3O2/c1-3-16(4-2)9-10-17-13(18)11-7-5-6-8-12(11)15-14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)
InChIKey
FLZPQDCVOQGGKZ-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 159.4
[M+Na]+ 284.13696 172.5
[M+NH4]+ 279.18156 166.1
[M+K]+ 300.11090 165.8
[M-H]- 260.14046 160.8
[M+Na-2H]- 282.12241 164.9
[M]+ 261.14719 161.5
[M]- 261.14829 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.