CID 138040254

2243508-67-8

Structural Information

Molecular Formula
C19H21NO4
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-12-15-7-4-5-10-16(15)13-8-6-9-14(11-13)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKey
IEGOLSMZXDWQBM-UHFFFAOYSA-N
Compound name
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 178.0
[M+Na]+ 350.13628 188.9
[M+NH4]+ 345.18088 183.6
[M+K]+ 366.11022 184.0
[M-H]- 326.13978 180.2
[M+Na-2H]- 348.12173 184.3
[M]+ 327.14651 180.0
[M]- 327.14761 180.0
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.