CID 658787

313398-51-5

Structural Information

Molecular Formula
C18H17ClN4
SMILES
C1CN(CCN1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2
InChIKey
UQUXFXRMNTUFQA-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-2-piperazin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

324.11417 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12145 177.0
[M+Na]+ 347.10339 184.4
[M-H]- 323.10689 179.4
[M+NH4]+ 342.14799 185.8
[M+K]+ 363.07733 175.3
[M+H-H2O]+ 307.11143 164.5
[M+HCOO]- 369.11237 184.8
[M+CH3COO]- 383.12802 184.9
[M+Na-2H]- 345.08884 182.0
[M]+ 324.11362 172.4
[M]- 324.11472 172.4
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