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]+ 355.23802 189.3
[M+Na]+ 377.21996 191.4
[M-H]- 353.22346 194.7
[M+NH4]+ 372.26456 200.4
[M+K]+ 393.19390 189.5
[M+H-H2O]+ 337.22800 179.6
[M+HCOO]- 399.22894 207.2
[M+CH3COO]- 413.24459 222.2
[M+Na-2H]- 375.20541 190.3
[M]+ 354.23019 192.0
[M]- 354.23129 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.