CID 63490

Brn 0724854

Structural Information

Molecular Formula
C26H23ClN4O
SMILES
CCC(C)C(C1=NC2=C(N1)C=C(C=C2)Cl)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H23ClN4O/c1-3-16(2)23(24-28-21-14-13-18(27)15-22(21)29-24)31-25(17-9-5-4-6-10-17)30-20-12-8-7-11-19(20)26(31)32/h4-16,23H,3H2,1-2H3,(H,28,29)
InChIKey
RZKLFDNDGPFENG-UHFFFAOYSA-N
Compound name
3-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.15604 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16332 208.1
[M+Na]+ 465.14526 218.0
[M-H]- 441.14876 213.4
[M+NH4]+ 460.18986 215.3
[M+K]+ 481.11920 207.8
[M+H-H2O]+ 425.15330 195.7
[M+HCOO]- 487.15424 217.4
[M+CH3COO]- 501.16989 215.6
[M+Na-2H]- 463.13071 208.9
[M]+ 442.15549 211.8
[M]- 442.15659 211.8
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

No patent data available for this compound.