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]+ 362.18630 189.8
[M+Na]+ 384.16824 204.5
[M+NH4]+ 379.21284 193.1
[M+K]+ 400.14218 192.5
[M-H]- 360.17174 185.8
[M+Na-2H]- 382.15369 194.0
[M]+ 361.17847 190.0
[M]- 361.17957 190.0
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.