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]+ 395.18663 201.0
[M+Na]+ 417.16857 212.4
[M-H]- 393.17207 207.1
[M+NH4]+ 412.21317 209.8
[M+K]+ 433.14251 202.2
[M+H-H2O]+ 377.17661 188.6
[M+HCOO]- 439.17755 217.3
[M+CH3COO]- 453.19320 209.9
[M+Na-2H]- 415.15402 203.8
[M]+ 394.17880 203.5
[M]- 394.17990 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.