CID 58423145

1204181-64-5

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]+ 381.217276 194.1
[M+Na]+ 403.199218 197.4
[M-H]- 379.202724 201.3
[M+NH4]+ 398.243823 203.6
[M+K]+ 419.173158 193.1
[M+H-H2O]+ 363.207260 183.8
[M+HCOO]- 425.208201 210.4
[M+CH3COO]- 439.223851 221.0
[M+Na-2H]- 401.184666 195.1
[M]+ 380.20945142 191.8
[M]- 380.21054858 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