CID 63223

23905-33-1

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3
InChI
InChI=1S/C20H25N3O/c1-2-3-12-19-21-18-11-5-4-10-17(18)20(24)23(19)16-9-8-15-22-13-6-7-14-22/h4-5,10-11H,2-3,6-7,12-16H2,1H3
InChIKey
DTRGKANBKOKTEL-UHFFFAOYSA-N
Compound name
2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 177.3
[M+Na]+ 346.18899 186.2
[M-H]- 322.19249 176.8
[M+NH4]+ 341.23359 188.1
[M+K]+ 362.16293 177.0
[M+H-H2O]+ 306.19703 160.5
[M+HCOO]- 368.19797 188.0
[M+CH3COO]- 382.21362 184.5
[M+Na-2H]- 344.17444 176.9
[M]+ 323.19922 171.5
[M]- 323.20032 171.5
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.