CID 205230

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

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCCC3
InChI
InChI=1S/C18H21N3O2/c1-19-17(22)15-9-3-4-10-16(15)21(18(19)23)14-8-7-13-20-11-5-2-6-12-20/h3-4,9-10H,2,5-6,11-14H2,1H3
InChIKey
CWUFFFASPXEVKC-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-piperidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 172.6
[M+Na]+ 334.15262 182.3
[M-H]- 310.15612 172.5
[M+NH4]+ 329.19722 182.3
[M+K]+ 350.12656 173.7
[M+H-H2O]+ 294.16066 156.0
[M+HCOO]- 356.16160 182.2
[M+CH3COO]- 370.17725 180.1
[M+Na-2H]- 332.13807 174.3
[M]+ 311.16285 165.2
[M]- 311.16395 165.2
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.