CID 102475

732-85-4

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C16H20N2O/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKey
JWHURRLUBVMKOT-HNNXBMFYSA-N
Compound name
(2S)-2-amino-4-methyl-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

320
Patents

256.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.6
[M+Na]+ 279.14678 166.0
[M-H]- 255.15028 165.0
[M+NH4]+ 274.19138 178.4
[M+K]+ 295.12072 162.8
[M+H-H2O]+ 239.15482 154.4
[M+HCOO]- 301.15576 182.5
[M+CH3COO]- 315.17141 203.4
[M+Na-2H]- 277.13223 164.5
[M]+ 256.15701 159.4
[M]- 256.15811 159.4
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