CID 162740

Bisnortilidine (1mg/ml in acetonitrile)

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCOC(=O)[C@]1(CCC=C[C@@H]1N)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO2/c1-2-18-14(17)15(11-7-6-10-13(15)16)12-8-4-3-5-9-12/h3-6,8-10,13H,2,7,11,16H2,1H3/t13-,15+/m0/s1
InChIKey
BTKAMSWFNMGLGM-DZGCQCFKSA-N
Compound name
ethyl (1R,2S)-2-amino-1-phenylcyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

245.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 157.8
[M+Na]+ 268.130808 163.0
[M-H]- 244.134314 163.5
[M+NH4]+ 263.175413 176.2
[M+K]+ 284.104748 160.2
[M+H-H2O]+ 228.138850 150.7
[M+HCOO]- 290.139791 179.0
[M+CH3COO]- 304.155441 194.0
[M+Na-2H]- 266.116256 161.8
[M]+ 245.14104142 154.8
[M]- 245.14213858 154.8
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

patents stripe