CID 20112800

3-methyl-2-[2-(naphthalen-2-yl)acetamido]butanoic acid

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC(C)C(C(=O)O)NC(=O)CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C17H19NO3/c1-11(2)16(17(20)21)18-15(19)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
KYYXUCOBOBVOGO-UHFFFAOYSA-N
Compound name
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.0
[M+Na]+ 308.12572 171.2
[M-H]- 284.12922 169.4
[M+NH4]+ 303.17032 182.2
[M+K]+ 324.09966 168.4
[M+H-H2O]+ 268.13376 160.0
[M+HCOO]- 330.13470 185.2
[M+CH3COO]- 344.15035 203.8
[M+Na-2H]- 306.11117 168.5
[M]+ 285.13595 166.6
[M]- 285.13705 166.6
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.