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]+ 324.207046 177.3
[M+Na]+ 346.188988 186.2
[M-H]- 322.192494 176.8
[M+NH4]+ 341.233593 188.1
[M+K]+ 362.162928 177.0
[M+H-H2O]+ 306.197030 160.5
[M+HCOO]- 368.197971 188.0
[M+CH3COO]- 382.213621 184.5
[M+Na-2H]- 344.174436 176.9
[M]+ 323.19922142 171.5
[M]- 323.20031858 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.