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 176.6
[M+Na]+ 348.16824 186.8
[M-H]- 324.17174 176.7
[M+NH4]+ 343.21284 187.5
[M+K]+ 364.14218 177.9
[M+H-H2O]+ 308.17628 160.2
[M+HCOO]- 370.17722 187.9
[M+CH3COO]- 384.19287 184.4
[M+Na-2H]- 346.15369 176.0
[M]+ 325.17847 171.5
[M]- 325.17957 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.