CID 505606

Tert-butyl 4-[{4-[(methylamino)sulfonyl]phenyl}(2-naphthylmethyl)amino]-2,4-dioxobutanoate

Structural Information

Molecular Formula
C26H28N2O6S
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)NC
InChI
InChI=1S/C26H28N2O6S/c1-26(2,3)34-25(31)23(29)16-24(30)28(21-11-13-22(14-12-21)35(32,33)27-4)17-18-9-10-19-7-5-6-8-20(19)15-18/h5-15,27H,16-17H2,1-4H3
InChIKey
LPCVTWXELWAMCO-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(methylsulfamoyl)-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1668 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.17408 216.2
[M+Na]+ 519.15602 218.5
[M-H]- 495.15952 223.5
[M+NH4]+ 514.20062 223.4
[M+K]+ 535.12996 216.7
[M+H-H2O]+ 479.16406 207.0
[M+HCOO]- 541.16500 229.2
[M+CH3COO]- 555.18065 244.7
[M+Na-2H]- 517.14147 218.9
[M]+ 496.16625 222.7
[M]- 496.16735 222.7
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.