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]+ 382.15502 196.1
[M+Na]+ 404.13696 209.9
[M-H]- 380.14046 203.6
[M+NH4]+ 399.18156 209.0
[M+K]+ 420.11090 201.7
[M+H-H2O]+ 364.14500 185.2
[M+HCOO]- 426.14594 214.6
[M+CH3COO]- 440.16159 207.0
[M+Na-2H]- 402.12241 199.6
[M]+ 381.14719 202.7
[M]- 381.14829 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