CID 63432

4(3h)-quinazolinone, 2-ethyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)

Structural Information

Molecular Formula
C18H21N3O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3
InChI
InChI=1S/C18H21N3O/c1-2-17-19-16-10-4-3-9-15(16)18(22)21(17)14-8-7-13-20-11-5-6-12-20/h3-4,9-10H,2,5-6,11-14H2,1H3
InChIKey
KJZHETTVKRVOHQ-UHFFFAOYSA-N
Compound name
2-ethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 174.1
[M+Na]+ 318.15768 187.1
[M+NH4]+ 313.20228 177.9
[M+K]+ 334.13162 177.3
[M-H]- 294.16118 168.4
[M+Na-2H]- 316.14313 176.4
[M]+ 295.16791 173.5
[M]- 295.16901 173.5
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.