CID 63488

Brn 0718434

Structural Information

Molecular Formula
C25H22N4O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)CCN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H22N4O/c1-16-14-21-22(15-17(16)2)27-23(26-21)12-13-29-24(18-8-4-3-5-9-18)28-20-11-7-6-10-19(20)25(29)30/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
InChIKey
RQOPRFXWFHBMOB-UHFFFAOYSA-N
Compound name
3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.17935 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.186626 201.0
[M+Na]+ 417.168568 212.4
[M-H]- 393.172074 207.1
[M+NH4]+ 412.213173 209.8
[M+K]+ 433.142508 202.2
[M+H-H2O]+ 377.176610 188.6
[M+HCOO]- 439.177551 217.3
[M+CH3COO]- 453.193201 209.9
[M+Na-2H]- 415.154016 203.8
[M]+ 394.17880142 203.5
[M]- 394.17989858 203.5
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.