CID 63806

Brn 0718373

Structural Information

Molecular Formula
C27H26N4O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C(C(C)C)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C27H26N4O/c1-16(2)24(25-28-22-14-17(3)18(4)15-23(22)29-25)31-26(19-10-6-5-7-11-19)30-21-13-9-8-12-20(21)27(31)32/h5-16,24H,1-4H3,(H,28,29)
InChIKey
JBNYBDMQUFBZLV-UHFFFAOYSA-N
Compound name
3-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.21066 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21794 208.4
[M+Na]+ 445.19988 218.1
[M-H]- 421.20338 214.4
[M+NH4]+ 440.24448 215.9
[M+K]+ 461.17382 208.7
[M+H-H2O]+ 405.20792 196.2
[M+HCOO]- 467.20886 222.0
[M+CH3COO]- 481.22451 216.3
[M+Na-2H]- 443.18533 208.4
[M]+ 422.21011 210.5
[M]- 422.21121 210.5
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.