CID 212096

23905-28-4

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3
InChI
InChI=1S/C20H25N3O2/c1-2-3-15-23-19(24)17-10-4-5-11-18(17)22(20(23)25)16-9-8-14-21-12-6-7-13-21/h4-5,10-11H,2-3,6-7,12-16H2,1H3
InChIKey
VDHGFUBFVVDRPE-UHFFFAOYSA-N
Compound name
3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 180.4
[M+Na]+ 362.183888 190.1
[M-H]- 338.187394 180.3
[M+NH4]+ 357.228493 190.8
[M+K]+ 378.157828 181.1
[M+H-H2O]+ 322.191930 163.8
[M+HCOO]- 384.192871 191.4
[M+CH3COO]- 398.208521 215.5
[M+Na-2H]- 360.169336 179.3
[M]+ 339.19412142 175.6
[M]- 339.19521858 175.6
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.