CID 24898732

Cr4056

Structural Information

Molecular Formula
C17H12N4
SMILES
C1=CC=C(C=C1)C2=NC=C3C=C(C=CC3=N2)N4C=CN=C4
InChI
InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H
InChIKey
CSZGXYBGYFNSCO-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-2-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

46
Patents

272.1062 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11348 162.2
[M+Na]+ 295.09542 173.1
[M-H]- 271.09892 168.1
[M+NH4]+ 290.14002 175.1
[M+K]+ 311.06936 165.7
[M+H-H2O]+ 255.10346 150.6
[M+HCOO]- 317.10440 183.1
[M+CH3COO]- 331.12005 173.9
[M+Na-2H]- 293.08087 170.3
[M]+ 272.10565 163.1
[M]- 272.10675 163.1
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