CID 2734481

(2r)-2-{[(tert-butoxy)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid

Structural Information

Molecular Formula
C18H21NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O
InChI
InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKey
URKWHOVNPHQQTM-OAHLLOKOSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

672
Patents

315.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 174.2
[M+Na]+ 338.136278 178.6
[M-H]- 314.139784 176.8
[M+NH4]+ 333.180883 188.5
[M+K]+ 354.110218 176.4
[M+H-H2O]+ 298.144320 167.5
[M+HCOO]- 360.145261 191.7
[M+CH3COO]- 374.160911 207.1
[M+Na-2H]- 336.121726 177.6
[M]+ 315.14651142 175.6
[M]- 315.14760858 175.6
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