CID 505570

Tert-butyl 4-[bis(2-naphthylmethyl)amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C30H29NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C30H29NO4/c1-30(2,3)35-29(34)27(32)18-28(33)31(19-21-12-14-23-8-4-6-10-25(23)16-21)20-22-13-15-24-9-5-7-11-26(24)17-22/h4-17H,18-20H2,1-3H3
InChIKey
USSFPTGPPVGDOG-UHFFFAOYSA-N
Compound name
tert-butyl 4-[bis(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.20966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.21694 216.7
[M+Na]+ 490.19888 220.1
[M-H]- 466.20238 224.9
[M+NH4]+ 485.24348 225.8
[M+K]+ 506.17282 216.4
[M+H-H2O]+ 450.20692 205.9
[M+HCOO]- 512.20786 233.9
[M+CH3COO]- 526.22351 241.9
[M+Na-2H]- 488.18433 219.2
[M]+ 467.20911 221.6
[M]- 467.21021 221.6
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.