CID 58423145

(r)-tert-butyl (1-(3-formyl-[1,1'-biphenyl]-2-yl)piperidin-3-yl)carbamate

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C2=C(C=CC=C2C3=CC=CC=C3)C=O
InChI
InChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)24-19-12-8-14-25(15-19)21-18(16-26)11-7-13-20(21)17-9-5-4-6-10-17/h4-7,9-11,13,16,19H,8,12,14-15H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKey
CBWPIAQEJKRGGB-LJQANCHMSA-N
Compound name
tert-butyl N-[(3R)-1-(2-formyl-6-phenylphenyl)piperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

380.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 194.1
[M+Na]+ 403.19922 197.4
[M-H]- 379.20272 201.3
[M+NH4]+ 398.24382 203.6
[M+K]+ 419.17316 193.1
[M+H-H2O]+ 363.20726 183.8
[M+HCOO]- 425.20820 210.4
[M+CH3COO]- 439.22385 221.0
[M+Na-2H]- 401.18467 195.1
[M]+ 380.20945 191.8
[M]- 380.21055 191.8
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

patents stripe