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]+ 343.23802 183.9
[M+Na]+ 365.21996 189.3
[M-H]- 341.22346 192.4
[M+NH4]+ 360.26456 207.2
[M+K]+ 381.19390 187.3
[M+H-H2O]+ 325.22800 178.4
[M+HCOO]- 387.22894 205.4
[M+CH3COO]- 401.24459 224.5
[M+Na-2H]- 363.20541 183.4
[M]+ 342.23019 187.0
[M]- 342.23129 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.