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]+ 259.180496 160.4
[M+Na]+ 281.162438 163.7
[M-H]- 257.165944 165.6
[M+NH4]+ 276.207043 181.3
[M+K]+ 297.136378 160.0
[M+H-H2O]+ 241.170480 153.7
[M+HCOO]- 303.171421 182.4
[M+CH3COO]- 317.187071 200.2
[M+Na-2H]- 279.147886 162.6
[M]+ 258.17267142 157.3
[M]- 258.17376858 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.