CID 100161

77130-24-6

Structural Information

Molecular Formula
C30H30N4O2
SMILES
CC1=CC(=CC(=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC(=CC(=C4)C)C)C
InChI
InChI=1S/C30H30N4O2/c1-19-13-20(2)16-25(15-19)29(35)33-27(23-5-9-31-10-6-23)28(24-7-11-32-12-8-24)34-30(36)26-17-21(3)14-22(4)18-26/h5-18,27-28H,1-4H3,(H,33,35)(H,34,36)
InChIKey
CVEGYFDKGDLPCY-UHFFFAOYSA-N
Compound name
N-[2-[(3,5-dimethylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.23688 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.24416 220.0
[M+Na]+ 501.22610 222.7
[M-H]- 477.22960 229.3
[M+NH4]+ 496.27070 222.9
[M+K]+ 517.20004 216.5
[M+H-H2O]+ 461.23414 206.6
[M+HCOO]- 523.23508 237.1
[M+CH3COO]- 537.25073 246.1
[M+Na-2H]- 499.21155 218.8
[M]+ 478.23633 219.0
[M]- 478.23743 219.0
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.