CID 505549

Tert-butyl 4-[(1-benzofuran-2-ylmethyl)(phenyl)amino]-2,4-dioxobutanoate

Structural Information

Molecular Formula
C23H23NO5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO5/c1-23(2,3)29-22(27)19(25)14-21(26)24(17-10-5-4-6-11-17)15-18-13-16-9-7-8-12-20(16)28-18/h4-13H,14-15H2,1-3H3
InChIKey
PLUIPVWDJIPYIH-UHFFFAOYSA-N
Compound name
tert-butyl 4-[N-(1-benzofuran-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15762 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 195.2
[M+Na]+ 416.14684 200.2
[M-H]- 392.15034 204.7
[M+NH4]+ 411.19144 207.5
[M+K]+ 432.12078 199.7
[M+H-H2O]+ 376.15488 187.2
[M+HCOO]- 438.15582 216.0
[M+CH3COO]- 452.17147 224.5
[M+Na-2H]- 414.13229 197.5
[M]+ 393.15707 202.3
[M]- 393.15817 202.3
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.