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 168.2
[M-H]- 260.14046 161.5
[M+NH4]+ 279.18156 174.6
[M+K]+ 300.11090 164.2
[M+H-H2O]+ 244.14500 151.0
[M+HCOO]- 306.14594 180.3
[M+CH3COO]- 320.16159 201.0
[M+Na-2H]- 282.12241 165.3
[M]+ 261.14719 162.2
[M]- 261.14829 162.2
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.