CID 505554

Tert-butyl 4-[3-benzyloxy-n-(2-naphthylmethyl)anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C32H31NO5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC(=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C32H31NO5/c1-32(2,3)38-31(36)29(34)20-30(35)33(21-24-16-17-25-12-7-8-13-26(25)18-24)27-14-9-15-28(19-27)37-22-23-10-5-4-6-11-23/h4-19H,20-22H2,1-3H3
InChIKey
FCDKYWUYJCHMIJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[N-(naphthalen-2-ylmethyl)-3-phenylmethoxyanilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.2202 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.22748 226.6
[M+Na]+ 532.20942 227.9
[M-H]- 508.21292 236.4
[M+NH4]+ 527.25402 232.3
[M+K]+ 548.18336 225.1
[M+H-H2O]+ 492.21746 214.6
[M+HCOO]- 554.21840 243.5
[M+CH3COO]- 568.23405 248.2
[M+Na-2H]- 530.19487 226.8
[M]+ 509.21965 230.8
[M]- 509.22075 230.8
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.