CID 3071107

Brn 5093765

Structural Information

Molecular Formula
C15H18ClN3O2
SMILES
CCN(CC)N1C(=O)C2=C(C=C(C=C2)Cl)N(C1=O)CC=C
InChI
InChI=1S/C15H18ClN3O2/c1-4-9-18-13-10-11(16)7-8-12(13)14(20)19(15(18)21)17(5-2)6-3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKey
HKBVEJPDDCYWKB-UHFFFAOYSA-N
Compound name
7-chloro-3-(diethylamino)-1-prop-2-enylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10876 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11604 168.3
[M+Na]+ 330.09798 179.8
[M-H]- 306.10148 172.0
[M+NH4]+ 325.14258 183.7
[M+K]+ 346.07192 174.3
[M+H-H2O]+ 290.10602 160.5
[M+HCOO]- 352.10696 185.8
[M+CH3COO]- 366.12261 211.8
[M+Na-2H]- 328.08343 172.2
[M]+ 307.10821 175.4
[M]- 307.10931 175.4
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.