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 232.1
[M+Na]+ 557.28872 232.0
[M-H]- 533.29222 240.5
[M+NH4]+ 552.33332 232.4
[M+K]+ 573.26266 226.6
[M+H-H2O]+ 517.29676 219.1
[M+HCOO]- 579.29770 244.7
[M+CH3COO]- 593.31335 254.4
[M+Na-2H]- 555.27417 233.1
[M]+ 534.29895 230.4
[M]- 534.30005 230.4
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.