CID 92140414

32667-89-3

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C16H16N2O4/c17-14(19)9-13(16(21)22)18-15(20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2,(H2,17,19)(H,18,20)(H,21,22)/t13-/m0/s1
InChIKey
MDBKOWLNEJOEAD-ZDUSSCGKSA-N
Compound name
(2S)-4-amino-2-[(2-naphthalen-1-ylacetyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 167.8
[M+Na]+ 323.10022 171.6
[M-H]- 299.10372 169.8
[M+NH4]+ 318.14482 181.5
[M+K]+ 339.07416 169.0
[M+H-H2O]+ 283.10826 160.4
[M+HCOO]- 345.10920 187.1
[M+CH3COO]- 359.12485 207.1
[M+Na-2H]- 321.08567 169.4
[M]+ 300.11045 166.0
[M]- 300.11155 166.0
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.