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]+ 286.143776 167.0
[M+Na]+ 308.125718 171.2
[M-H]- 284.129224 169.4
[M+NH4]+ 303.170323 182.2
[M+K]+ 324.099658 168.4
[M+H-H2O]+ 268.133760 160.0
[M+HCOO]- 330.134701 185.2
[M+CH3COO]- 344.150351 203.8
[M+Na-2H]- 306.111166 168.5
[M]+ 285.13595142 166.6
[M]- 285.13704858 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.