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 176.8
[M+Na]+ 346.15262 187.3
[M-H]- 322.15612 177.0
[M+NH4]+ 341.19722 187.8
[M+K]+ 362.12656 177.9
[M+H-H2O]+ 306.16066 160.5
[M+HCOO]- 368.16160 188.3
[M+CH3COO]- 382.17725 184.6
[M+Na-2H]- 344.13807 176.1
[M]+ 323.16285 171.1
[M]- 323.16395 171.1
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.