CID 208640

Brn 0581075

Structural Information

Molecular Formula
C24H19N3O2
SMILES
CC1=CC(=C(C(=C1)C)C(=O)N2C3=CC=CC=C3N4C2=NC5=CC=CC=C5C4=O)C
InChI
InChI=1S/C24H19N3O2/c1-14-12-15(2)21(16(3)13-14)23(29)27-20-11-7-6-10-19(20)26-22(28)17-8-4-5-9-18(17)25-24(26)27/h4-13H,1-3H3
InChIKey
FJKOMYLJLHVHPV-UHFFFAOYSA-N
Compound name
6-(2,4,6-trimethylbenzoyl)benzimidazolo[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

381.14774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.155016 196.1
[M+Na]+ 404.136958 209.9
[M-H]- 380.140464 203.6
[M+NH4]+ 399.181563 209.0
[M+K]+ 420.110898 201.7
[M+H-H2O]+ 364.145000 185.2
[M+HCOO]- 426.145941 214.6
[M+CH3COO]- 440.161591 207.0
[M+Na-2H]- 402.122406 199.6
[M]+ 381.14719142 202.7
[M]- 381.14828858 202.7
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

patents stripe