CID 2761623

219297-11-7

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)CC(=O)O
InChI
InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-16(12-17(21)22)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKey
RKULNBHGHIPRGC-INIZCTEOSA-N
Compound name
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

329.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.0
[M+Na]+ 352.15194 187.2
[M+NH4]+ 347.19654 183.5
[M+K]+ 368.12588 182.8
[M-H]- 328.15544 178.2
[M+Na-2H]- 350.13739 181.5
[M]+ 329.16217 179.0
[M]- 329.16327 179.0
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

patents stripe