CID 505553

Tert-butyl 4-[(2-naphthylmethyl)(phenyl)amino]-2,4-dioxobutanoate

Structural Information

Molecular Formula
C25H25NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C25H25NO4/c1-25(2,3)30-24(29)22(27)16-23(28)26(21-11-5-4-6-12-21)17-18-13-14-19-9-7-8-10-20(19)15-18/h4-15H,16-17H2,1-3H3
InChIKey
VWJWICQXVYMRGL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.17834 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18562 198.2
[M+Na]+ 426.16756 201.3
[M-H]- 402.17106 205.8
[M+NH4]+ 421.21216 209.2
[M+K]+ 442.14150 198.9
[M+H-H2O]+ 386.17560 188.8
[M+HCOO]- 448.17654 216.6
[M+CH3COO]- 462.19219 228.6
[M+Na-2H]- 424.15301 200.2
[M]+ 403.17779 201.5
[M]- 403.17889 201.5
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.