CID 64528

N-(3,3-diphenylpropionyl)-4-amino-4,8,8-trimethyl-1-azaadamantane

Structural Information

Molecular Formula
C27H34N2O
SMILES
CC1(C2CC3CN1CC(C2)C3(C)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C27H34N2O/c1-26(2)21-14-22-17-29(26)18-23(15-21)27(22,3)28-25(30)16-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-24H,14-18H2,1-3H3,(H,28,30)
InChIKey
MCODFVMBFULDSV-UHFFFAOYSA-N
Compound name
3,3-diphenyl-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.26712 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.274396 198.6
[M+Na]+ 425.256338 198.3
[M-H]- 401.259844 197.3
[M+NH4]+ 420.300943 215.7
[M+K]+ 441.230278 192.5
[M+H-H2O]+ 385.264380 185.8
[M+HCOO]- 447.265321 201.3
[M+CH3COO]- 461.280971 202.8
[M+Na-2H]- 423.241786 204.4
[M]+ 402.26657142 197.6
[M]- 402.26766858 197.6
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