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]+ 272.13936 161.8
[M+Na]+ 294.12130 173.3
[M-H]- 270.12480 162.9
[M+NH4]+ 289.16590 175.3
[M+K]+ 310.09524 168.0
[M+H-H2O]+ 254.12934 147.1
[M+HCOO]- 316.13028 177.7
[M+CH3COO]- 330.14593 210.4
[M+Na-2H]- 292.10675 165.3
[M]+ 271.13153 159.8
[M]- 271.13263 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.