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

51
Patents

329.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.169996 178.9
[M+Na]+ 352.151938 182.8
[M-H]- 328.155444 181.2
[M+NH4]+ 347.196543 192.6
[M+K]+ 368.125878 180.4
[M+H-H2O]+ 312.159980 171.9
[M+HCOO]- 374.160921 196.0
[M+CH3COO]- 388.176571 210.0
[M+Na-2H]- 350.137386 181.7
[M]+ 329.16217142 180.6
[M]- 329.16326858 180.6
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

patents stripe