CID 199338

6-chloro-3-(2-(4-phenyl-1-piperazinyl)ethyl)-2,4(1h,3h)-quinazolinedione maleate

Structural Information

Molecular Formula
C20H21ClN4O2
SMILES
C1CN(CCN1CCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H21ClN4O2/c21-15-6-7-18-17(14-15)19(26)25(20(27)22-18)13-10-23-8-11-24(12-9-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,27)
InChIKey
ANZIDVYBPKVHNE-UHFFFAOYSA-N
Compound name
6-chloro-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14258 192.6
[M+Na]+ 407.12452 201.0
[M-H]- 383.12802 195.6
[M+NH4]+ 402.16912 199.3
[M+K]+ 423.09846 191.9
[M+H-H2O]+ 367.13256 179.9
[M+HCOO]- 429.13350 200.2
[M+CH3COO]- 443.14915 199.9
[M+Na-2H]- 405.10997 195.0
[M]+ 384.13475 190.8
[M]- 384.13585 190.8
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

patents stripe