CID 3025389

Erl 387

Structural Information

Molecular Formula
C16H22N2O
SMILES
C1CC2CC1CC2NC(=O)CNCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O/c19-16(11-17-10-12-4-2-1-3-5-12)18-15-9-13-6-7-14(15)8-13/h1-5,13-15,17H,6-11H2,(H,18,19)
InChIKey
WLFGYNYNTMGBFC-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 160.4
[M+Na]+ 281.16244 163.7
[M-H]- 257.16594 165.6
[M+NH4]+ 276.20704 181.3
[M+K]+ 297.13638 160.0
[M+H-H2O]+ 241.17048 153.7
[M+HCOO]- 303.17142 182.4
[M+CH3COO]- 317.18707 200.2
[M+Na-2H]- 279.14789 162.6
[M]+ 258.17267 157.3
[M]- 258.17377 157.3
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.