CID 265939

Nsc102739

Structural Information

Molecular Formula
C26H36N4O2
SMILES
CCOC1=CC=CC=C1C2N3CCN(CC3)C(N4CCN2CC4)C5=CC=CC=C5OCC
InChI
InChI=1S/C26H36N4O2/c1-3-31-23-11-7-5-9-21(23)25-27-13-17-29(18-14-27)26(30-19-15-28(25)16-20-30)22-10-6-8-12-24(22)32-4-2/h5-12,25-26H,3-4,13-20H2,1-2H3
InChIKey
XSBSUNVUBAJIDY-UHFFFAOYSA-N
Compound name
2,7-bis(2-ethoxyphenyl)-1,3,6,8-tetrazatricyclo[6.2.2.23,6]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2838 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.29108 194.4
[M+Na]+ 459.27302 190.0
[M-H]- 435.27652 175.7
[M+NH4]+ 454.31762 194.8
[M+K]+ 475.24696 190.4
[M+H-H2O]+ 419.28106 190.1
[M+HCOO]- 481.28200 188.1
[M+CH3COO]- 495.29765 192.3
[M+Na-2H]- 457.25847 197.1
[M]+ 436.28325 188.4
[M]- 436.28435 188.4
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.