CID 138005996

2241129-91-7

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C17H19NO4/c1-17(2,3)22-16(21)18-10-11-4-5-13-9-14(15(19)20)7-6-12(13)8-11/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
SZJIWMULGQKJCX-UHFFFAOYSA-N
Compound name
6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 169.6
[M+Na]+ 324.120618 175.7
[M-H]- 300.124124 172.7
[M+NH4]+ 319.165223 184.9
[M+K]+ 340.094558 173.2
[M+H-H2O]+ 284.128660 163.1
[M+HCOO]- 346.129601 188.5
[M+CH3COO]- 360.145251 204.4
[M+Na-2H]- 322.106066 174.0
[M]+ 301.13085142 171.7
[M]- 301.13194858 171.7
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.