CID 122065

Sgb-1534

Structural Information

Molecular Formula
C21H24N4O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
InChIKey
ZFDWAPWETDMDSZ-UHFFFAOYSA-N
Compound name
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

50
Patents

380.18484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 193.5
[M+Na]+ 403.17406 209.1
[M+NH4]+ 398.21866 199.1
[M+K]+ 419.14800 200.9
[M-H]- 379.17756 197.3
[M+Na-2H]- 401.15951 200.7
[M]+ 380.18429 196.7
[M]- 380.18539 196.7
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

patents stripe