CID 4122650

14675-99-1

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)
InChIKey
HRBQDQOOFCWHTR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 169.5
[M+Na]+ 324.12062 174.4
[M-H]- 300.12412 172.3
[M+NH4]+ 319.16522 184.4
[M+K]+ 340.09456 172.4
[M+H-H2O]+ 284.12866 163.0
[M+HCOO]- 346.12960 187.4
[M+CH3COO]- 360.14525 204.1
[M+Na-2H]- 322.10607 173.4
[M]+ 301.13085 170.6
[M]- 301.13195 170.6
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