CID 3041264

2-pyridineacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-n,alpha-diphenyl-, phosphate (1:1)

Structural Information

Molecular Formula
C27H33N3O
SMILES
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)NC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H33N3O/c1-21(2)30(22(3)4)20-18-27(23-13-7-5-8-14-23,25-17-11-12-19-28-25)26(31)29-24-15-9-6-10-16-24/h5-17,19,21-22H,18,20H2,1-4H3,(H,29,31)
InChIKey
YKXUCUBDMSWDNG-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-N,2-diphenyl-2-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.26236 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26964 206.0
[M+Na]+ 438.25158 217.6
[M+NH4]+ 433.29618 212.5
[M+K]+ 454.22552 210.2
[M-H]- 414.25508 212.4
[M+Na-2H]- 436.23703 216.0
[M]+ 415.26181 209.5
[M]- 415.26291 209.5
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.