CID 3111211

Ml213

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C
InChI
InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKey
SIQGKPGBLYKQBB-UHFFFAOYSA-N
Compound name
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

104
Patents

257.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 162.1
[M+Na]+ 280.16720 171.9
[M+NH4]+ 275.21180 171.4
[M+K]+ 296.14114 168.5
[M-H]- 256.17070 165.4
[M+Na-2H]- 278.15265 164.8
[M]+ 257.17743 164.2
[M]- 257.17853 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe