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]+ 296.175736 169.6
[M+Na]+ 318.157678 179.4
[M-H]- 294.161184 169.6
[M+NH4]+ 313.202283 181.6
[M+K]+ 334.131618 170.6
[M+H-H2O]+ 278.165720 153.2
[M+HCOO]- 340.166661 181.0
[M+CH3COO]- 354.182311 177.7
[M+Na-2H]- 316.143126 170.2
[M]+ 295.16791142 163.3
[M]- 295.16900858 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.