CID 212094

23905-27-3

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C=CCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3
InChI
InChI=1S/C19H21N3O2/c1-2-11-22-18(23)16-9-3-4-10-17(16)21(19(22)24)15-8-7-14-20-12-5-6-13-20/h2-4,9-10H,1,5-6,11-15H2
InChIKey
WCPLIDYBWGNMFR-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-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

323.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 180.0
[M+Na]+ 346.15262 192.7
[M+NH4]+ 341.19722 182.6
[M+K]+ 362.12656 183.1
[M-H]- 322.15612 173.3
[M+Na-2H]- 344.13807 181.2
[M]+ 323.16285 178.9
[M]- 323.16395 178.9
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.