CID 212092

23905-26-2

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3
InChI
InChI=1S/C19H23N3O2/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/h3-4,9-10H,2,5-6,11-15H2,1H3
InChIKey
UEZNEIJPQAFITR-UHFFFAOYSA-N
Compound name
3-propyl-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

325.17902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 180.2
[M+Na]+ 348.16824 192.8
[M+NH4]+ 343.21284 183.0
[M+K]+ 364.14218 183.4
[M-H]- 324.17174 173.8
[M+Na-2H]- 346.15369 181.5
[M]+ 325.17847 179.2
[M]- 325.17957 179.2
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.