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]+ 257.164836 161.6
[M+Na]+ 279.146778 166.0
[M-H]- 255.150284 165.0
[M+NH4]+ 274.191383 178.4
[M+K]+ 295.120718 162.8
[M+H-H2O]+ 239.154820 154.4
[M+HCOO]- 301.155761 182.5
[M+CH3COO]- 315.171411 203.4
[M+Na-2H]- 277.132226 164.5
[M]+ 256.15701142 159.4
[M]- 256.15810858 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.