CID 3071106

Brn 5073092

Structural Information

Molecular Formula
C14H18ClN3O2
SMILES
CCN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N(CC)CC
InChI
InChI=1S/C14H18ClN3O2/c1-4-16(5-2)18-13(19)11-8-7-10(15)9-12(11)17(6-3)14(18)20/h7-9H,4-6H2,1-3H3
InChIKey
PSXZJTRBSNJARC-UHFFFAOYSA-N
Compound name
7-chloro-3-(diethylamino)-1-ethylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10876 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11604 164.9
[M+Na]+ 318.09798 176.6
[M-H]- 294.10148 168.8
[M+NH4]+ 313.14258 180.9
[M+K]+ 334.07192 171.9
[M+H-H2O]+ 278.10602 157.3
[M+HCOO]- 340.10696 182.6
[M+CH3COO]- 354.12261 209.7
[M+Na-2H]- 316.08343 169.3
[M]+ 295.10821 172.3
[M]- 295.10931 172.3
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.