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

4
Patents

326.2358 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.243076 181.5
[M+Na]+ 349.225018 183.2
[M-H]- 325.228524 177.9
[M+NH4]+ 344.269623 202.7
[M+K]+ 365.198958 178.3
[M+H-H2O]+ 309.233060 171.4
[M+HCOO]- 371.234001 186.0
[M+CH3COO]- 385.249651 187.6
[M+Na-2H]- 347.210466 189.3
[M]+ 326.23525142 182.0
[M]- 326.23634858 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