CID 688499

L-isoleucine beta-naphthylamide

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC[C@H](C)[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C16H20N2O/c1-3-11(2)15(17)16(19)18-14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,17H2,1-2H3,(H,18,19)/t11-,15-/m0/s1
InChIKey
CEZPKIGJZWWHJT-NHYWBVRUSA-N
Compound name
(2S,3S)-2-amino-3-methyl-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.