CID 205235

2,4(1h,3h)-quinazolinedione, 3-(4-(dimethylamino)-2-butynyl)-1-methyl-, monohydrochloride

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CN1C2=CC=CC=C2C(=O)N(C1=O)CC#CCN(C)C
InChI
InChI=1S/C15H17N3O2/c1-16(2)10-6-7-11-18-14(19)12-8-4-5-9-13(12)17(3)15(18)20/h4-5,8-9H,10-11H2,1-3H3
InChIKey
LQLCGWZGOKGCPJ-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)but-2-ynyl]-1-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 161.8
[M+Na]+ 294.121298 173.3
[M-H]- 270.124804 162.9
[M+NH4]+ 289.165903 175.3
[M+K]+ 310.095238 168.0
[M+H-H2O]+ 254.129340 147.1
[M+HCOO]- 316.130281 177.7
[M+CH3COO]- 330.145931 210.4
[M+Na-2H]- 292.106746 165.3
[M]+ 271.13153142 159.8
[M]- 271.13262858 159.8
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.