CID 121203

3-methyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1h,3h)-quinazolinedione hydrochloride

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3
InChI
InChI=1S/C17H19N3O2/c1-18-16(21)14-8-2-3-9-15(14)20(17(18)22)13-7-6-12-19-10-4-5-11-19/h2-3,8-9H,4-5,10-13H2,1H3
InChIKey
RJWIYLLHHAXWEW-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14774 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 168.9
[M+Na]+ 320.13696 179.9
[M-H]- 296.14046 169.4
[M+NH4]+ 315.18156 180.9
[M+K]+ 336.11090 171.5
[M+H-H2O]+ 280.14500 152.9
[M+HCOO]- 342.14594 180.9
[M+CH3COO]- 356.16159 177.5
[M+Na-2H]- 318.12241 169.2
[M]+ 297.14719 163.3
[M]- 297.14829 163.3
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.