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 177.8
[M+Na]+ 334.15262 191.6
[M+NH4]+ 329.19722 181.0
[M+K]+ 350.12656 180.4
[M-H]- 310.15612 172.2
[M+Na-2H]- 332.13807 180.2
[M]+ 311.16285 177.3
[M]- 311.16395 177.3
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.