CID 46364

64011-96-7

Structural Information

Molecular Formula
C26H22N2O2
SMILES
C1CC(C1C(=O)NC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H22N2O2/c29-25(27-23-13-5-9-17-7-1-3-11-19(17)23)21-15-16-22(21)26(30)28-24-14-6-10-18-8-2-4-12-20(18)24/h1-14,21-22H,15-16H2,(H,27,29)(H,28,30)
InChIKey
GQMNVHUHWNUGCO-UHFFFAOYSA-N
Compound name
1-N,2-N-dinaphthalen-1-ylcyclobutane-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16812 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.175396 193.5
[M+Na]+ 417.157338 197.2
[M-H]- 393.160844 203.3
[M+NH4]+ 412.201943 198.6
[M+K]+ 433.131278 194.8
[M+H-H2O]+ 377.165380 176.8
[M+HCOO]- 439.166321 212.8
[M+CH3COO]- 453.181971 201.6
[M+Na-2H]- 415.142786 197.9
[M]+ 394.16757142 200.4
[M]- 394.16866858 200.4
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.