CID 3040821

Brn 0494405

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)OC)C(C)C
InChI
InChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)16-14-22(21(25)26-5,19-11-7-6-8-12-19)20-13-9-10-15-23-20/h6-13,15,17-18H,14,16H2,1-5H3
InChIKey
VIJVPBZKBFZYRB-UHFFFAOYSA-N
Compound name
methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.3
[M+Na]+ 377.219958 191.4
[M-H]- 353.223464 194.7
[M+NH4]+ 372.264563 200.4
[M+K]+ 393.193898 189.5
[M+H-H2O]+ 337.228000 179.6
[M+HCOO]- 399.228941 207.2
[M+CH3COO]- 413.244591 222.2
[M+Na-2H]- 375.205406 190.3
[M]+ 354.23019142 192.0
[M]- 354.23128858 192.0
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.