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]+ 310.128526 168.7
[M+Na]+ 332.110468 174.3
[M-H]- 308.113974 171.1
[M+NH4]+ 327.155073 182.6
[M+K]+ 348.084408 174.0
[M+H-H2O]+ 292.118510 162.4
[M+HCOO]- 354.119451 188.2
[M+CH3COO]- 368.135101 204.6
[M+Na-2H]- 330.095916 170.0
[M]+ 309.12070142 172.8
[M]- 309.12179858 172.8
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.