CID 165799471

2137725-80-3

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C16H17NO4/c1-16(2,3)21-15(20)17-13-9-11(14(18)19)8-10-6-4-5-7-12(10)13/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKey
PSGLEYOEYUWSBH-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 164.9
[M+Na]+ 310.10497 175.6
[M+NH4]+ 305.14957 171.2
[M+K]+ 326.07891 171.3
[M-H]- 286.10847 165.6
[M+Na-2H]- 308.09042 169.3
[M]+ 287.11520 166.4
[M]- 287.11630 166.4
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.