CID 205231

Brn 0716560

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CCN(CC)CC#CCN1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C22H23N3O2/c1-3-23(4-2)16-10-11-17-24-20-15-9-8-14-19(20)21(26)25(22(24)27)18-12-6-5-7-13-18/h5-9,12-15H,3-4,16-17H2,1-2H3
InChIKey
BYNQOYZACTXDCA-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)but-2-ynyl]-3-phenylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 190.1
[M+Na]+ 384.168238 200.2
[M-H]- 360.171744 192.7
[M+NH4]+ 379.212843 199.5
[M+K]+ 400.142178 191.6
[M+H-H2O]+ 344.176280 173.1
[M+HCOO]- 406.177221 204.7
[M+CH3COO]- 420.192871 225.3
[M+Na-2H]- 382.153686 191.9
[M]+ 361.17847142 187.5
[M]- 361.17956858 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.