CID 505602

Tert-butyl 4-[{3-[(diethylamino)carbonyl]phenyl}(2-naphthylmethyl)amino]-2,4-dioxobutanoate

Structural Information

Molecular Formula
C30H34N2O5
SMILES
CCN(CC)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C30H34N2O5/c1-6-31(7-2)28(35)24-13-10-14-25(18-24)32(27(34)19-26(33)29(36)37-30(3,4)5)20-21-15-16-22-11-8-9-12-23(22)17-21/h8-18H,6-7,19-20H2,1-5H3
InChIKey
DHAMNVOKFNCQTH-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(diethylcarbamoyl)-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.24677 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.25405 224.0
[M+Na]+ 525.23599 224.7
[M-H]- 501.23949 232.3
[M+NH4]+ 520.28059 231.2
[M+K]+ 541.20993 224.1
[M+H-H2O]+ 485.24403 213.7
[M+HCOO]- 547.24497 241.5
[M+CH3COO]- 561.26062 254.2
[M+Na-2H]- 523.22144 222.1
[M]+ 502.24622 230.0
[M]- 502.24732 230.0
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

No patent data available for this compound.