CID 201457

Wy 856

Structural Information

Molecular Formula
C34H44N4O4
SMILES
CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCOC(=O)C2=CN=CC=C2)CC(=O)N(C)C(C)(C)CC3=CC=CC=C3
InChI
InChI=1S/C34H44N4O4/c1-33(2,22-27-14-9-7-10-15-27)36(5)30(39)25-38(20-21-42-32(41)29-18-13-19-35-24-29)26-31(40)37(6)34(3,4)23-28-16-11-8-12-17-28/h7-19,24H,20-23,25-26H2,1-6H3
InChIKey
CRUPWUGQNGJHJL-UHFFFAOYSA-N
Compound name
2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.33624 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.34352 241.5
[M+Na]+ 595.32546 238.2
[M-H]- 571.32896 250.9
[M+NH4]+ 590.37006 242.9
[M+K]+ 611.29940 238.0
[M+H-H2O]+ 555.33350 228.5
[M+HCOO]- 617.33444 258.5
[M+CH3COO]- 631.35009 270.3
[M+Na-2H]- 593.31091 241.2
[M]+ 572.33569 247.0
[M]- 572.33679 247.0
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.