CID 3058995

75906-82-0

Structural Information

Molecular Formula
C12H14ClN3O2
SMILES
CCN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N(C)C
InChI
InChI=1S/C12H14ClN3O2/c1-4-15-10-7-8(13)5-6-9(10)11(17)16(12(15)18)14(2)3/h5-7H,4H2,1-3H3
InChIKey
MFHIESDFZGKHBF-UHFFFAOYSA-N
Compound name
7-chloro-3-(dimethylamino)-1-ethylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.07745 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08473 155.5
[M+Na]+ 290.06667 168.1
[M-H]- 266.07017 159.8
[M+NH4]+ 285.11127 172.7
[M+K]+ 306.04061 163.9
[M+H-H2O]+ 250.07471 148.3
[M+HCOO]- 312.07565 173.9
[M+CH3COO]- 326.09130 203.7
[M+Na-2H]- 288.05212 161.0
[M]+ 267.07690 162.3
[M]- 267.07800 162.3
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

patents stripe