CID 24832139

Brn 2820136

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CC1(C2CCC1(C(=O)C2N(CC3=CC=CC=C3)CC(=O)N(C)C)C)C
InChI
InChI=1S/C21H30N2O2/c1-20(2)16-11-12-21(20,3)19(25)18(16)23(14-17(24)22(4)5)13-15-9-7-6-8-10-15/h6-10,16,18H,11-14H2,1-5H3
InChIKey
UXHAXDJJAVKGMN-UHFFFAOYSA-N
Compound name
2-[benzyl-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 183.9
[M+Na]+ 365.219958 189.3
[M-H]- 341.223464 192.4
[M+NH4]+ 360.264563 207.2
[M+K]+ 381.193898 187.3
[M+H-H2O]+ 325.228000 178.4
[M+HCOO]- 387.228941 205.4
[M+CH3COO]- 401.244591 224.5
[M+Na-2H]- 363.205406 183.4
[M]+ 342.23019142 187.0
[M]- 342.23128858 187.0
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

No patent data available for this compound.