CID 3058903

Brn 5048075

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CN(C)N1C(=O)C2=C(C=C(C=C2)Cl)NC1=O
InChI
InChI=1S/C10H10ClN3O2/c1-13(2)14-9(15)7-4-3-6(11)5-8(7)12-10(14)16/h3-5H,1-2H3,(H,12,16)
InChIKey
MEVGKQYFICKFKY-UHFFFAOYSA-N
Compound name
7-chloro-3-(dimethylamino)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.04616 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05344 146.7
[M+Na]+ 262.03538 158.8
[M-H]- 238.03888 149.6
[M+NH4]+ 257.07998 164.0
[M+K]+ 278.00932 154.2
[M+H-H2O]+ 222.04342 140.0
[M+HCOO]- 284.04436 164.3
[M+CH3COO]- 298.06001 194.0
[M+Na-2H]- 260.02083 153.5
[M]+ 239.04561 150.5
[M]- 239.04671 150.5
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

patents stripe