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]+ 403.27440 198.6
[M+Na]+ 425.25634 198.3
[M-H]- 401.25984 197.3
[M+NH4]+ 420.30094 215.7
[M+K]+ 441.23028 192.5
[M+H-H2O]+ 385.26438 185.8
[M+HCOO]- 447.26532 201.3
[M+CH3COO]- 461.28097 202.8
[M+Na-2H]- 423.24179 204.4
[M]+ 402.26657 197.6
[M]- 402.26767 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