CID 4149814

N,n'-bis-trityl-oxalamide

Structural Information

Molecular Formula
C40H32N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C(=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C40H32N2O2/c43-37(41-39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(44)42-40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H,(H,41,43)(H,42,44)
InChIKey
GUYSMIPRIQBIKI-UHFFFAOYSA-N
Compound name
N,N'-ditrityloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2464 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.25368 235.3
[M+Na]+ 595.23562 233.4
[M-H]- 571.23912 249.5
[M+NH4]+ 590.28022 234.4
[M+K]+ 611.20956 225.9
[M+H-H2O]+ 555.24366 220.6
[M+HCOO]- 617.24460 251.3
[M+CH3COO]- 631.26025 238.7
[M+Na-2H]- 593.22107 240.3
[M]+ 572.24585 228.6
[M]- 572.24695 228.6
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.