CID 3071105

Brn 5085816

Structural Information

Molecular Formula
C13H16ClN3O2
SMILES
CCN(CC)N1C(=O)C2=C(C=C(C=C2)Cl)N(C1=O)C
InChI
InChI=1S/C13H16ClN3O2/c1-4-16(5-2)17-12(18)10-7-6-9(14)8-11(10)15(3)13(17)19/h6-8H,4-5H2,1-3H3
InChIKey
LYPWUWZIYRFECE-UHFFFAOYSA-N
Compound name
7-chloro-3-(diethylamino)-1-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0931 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10038 160.2
[M+Na]+ 304.08232 172.4
[M-H]- 280.08582 164.3
[M+NH4]+ 299.12692 176.8
[M+K]+ 320.05626 167.9
[M+H-H2O]+ 264.09036 152.8
[M+HCOO]- 326.09130 178.2
[M+CH3COO]- 340.10695 206.7
[M+Na-2H]- 302.06777 165.2
[M]+ 281.09255 167.3
[M]- 281.09365 167.3
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.