CID 63807

Brn 0723235

Structural Information

Molecular Formula
C28H28N4O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C(CC(C)C)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C28H28N4O/c1-17(2)14-25(26-29-23-15-18(3)19(4)16-24(23)30-26)32-27(20-10-6-5-7-11-20)31-22-13-9-8-12-21(22)28(32)33/h5-13,15-17,25H,14H2,1-4H3,(H,29,30)
InChIKey
QTYIDCVTZIDOKN-UHFFFAOYSA-N
Compound name
3-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-methylbutyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.22632 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.23360 212.8
[M+Na]+ 459.21554 221.9
[M-H]- 435.21904 218.5
[M+NH4]+ 454.26014 219.6
[M+K]+ 475.18948 212.4
[M+H-H2O]+ 419.22358 200.3
[M+HCOO]- 481.22452 226.0
[M+CH3COO]- 495.24017 220.1
[M+Na-2H]- 457.20099 212.2
[M]+ 436.22577 215.1
[M]- 436.22687 215.1
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.