CID 3059944

1,2-bis(4-isopropylbenzamido)-1,2-di-4-pyridylethae

Structural Information

Molecular Formula
C34H38N4O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C34H38N4O2/c1-33(2,3)27-11-7-25(8-12-27)31(39)37-29(23-15-19-35-20-16-23)30(24-17-21-36-22-18-24)38-32(40)26-9-13-28(14-10-26)34(4,5)6/h7-22,29-30H,1-6H3,(H,37,39)(H,38,40)
InChIKey
CQXCNXHYAHIMNC-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.2995 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.30678 233.7
[M+Na]+ 557.28872 245.8
[M+NH4]+ 552.33332 237.8
[M+K]+ 573.26266 239.3
[M-H]- 533.29222 240.3
[M+Na-2H]- 555.27417 244.2
[M]+ 534.29895 237.3
[M]- 534.30005 237.3
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.