CID 77590129

1310680-25-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 174.2
[M+Na]+ 338.13628 178.6
[M-H]- 314.13978 176.8
[M+NH4]+ 333.18088 188.5
[M+K]+ 354.11022 176.4
[M+H-H2O]+ 298.14432 167.5
[M+HCOO]- 360.14526 191.7
[M+CH3COO]- 374.16091 207.1
[M+Na-2H]- 336.12173 177.6
[M]+ 315.14651 175.6
[M]- 315.14761 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

No patent data available for this compound.