CID 154878860

2490420-55-6

Structural Information

Molecular Formula
C15H19NO6
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)OC)CC(=O)O
InChI
InChI=1S/C15H19NO6/c1-15(2,3)22-14(20)16-11-6-9(7-12(17)18)5-10(8-11)13(19)21-4/h5-6,8H,7H2,1-4H3,(H,16,20)(H,17,18)
InChIKey
FVKMRVUKCSZFDI-UHFFFAOYSA-N
Compound name
2-[3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12853 169.5
[M+Na]+ 332.11047 177.1
[M+NH4]+ 327.15507 172.9
[M+K]+ 348.08441 175.5
[M-H]- 308.11397 167.3
[M+Na-2H]- 330.09592 171.2
[M]+ 309.12070 169.4
[M]- 309.12180 169.4
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.