CID 12953352

345322-10-3

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)(C)N=CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C21H23NO4/c1-21(2,3)22-13-18(23)16-10-11-19(17(12-16)20(24)25-4)26-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKey
PBRFJGRNLXKQIA-UHFFFAOYSA-N
Compound name
methyl 5-(2-tert-butyliminoacetyl)-2-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.6
[M+Na]+ 376.15194 196.3
[M+NH4]+ 371.19654 190.3
[M+K]+ 392.12588 190.3
[M-H]- 352.15544 187.5
[M+Na-2H]- 374.13739 191.6
[M]+ 353.16217 187.0
[M]- 353.16327 187.0
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

patents stripe