CID 64526

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

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC1(C2CC3CN1CC(C2)C3(C)NC(=O)CCC4=CC=CC=C4)C
InChI
InChI=1S/C21H30N2O/c1-20(2)16-11-17-13-23(20)14-18(12-16)21(17,3)22-19(24)10-9-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H,22,24)
InChIKey
NTNRUSZQDRVOCG-UHFFFAOYSA-N
Compound name
3-phenyl-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

3
Patents

326.2358 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 181.5
[M+Na]+ 349.22502 183.2
[M-H]- 325.22852 177.9
[M+NH4]+ 344.26962 202.7
[M+K]+ 365.19896 178.3
[M+H-H2O]+ 309.23306 171.4
[M+HCOO]- 371.23400 186.0
[M+CH3COO]- 385.24965 187.6
[M+Na-2H]- 347.21047 189.3
[M]+ 326.23525 182.0
[M]- 326.23635 182.0
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

patents stripe