CID 202649

13073-11-5

Structural Information

Molecular Formula
C32H48N4
SMILES
CN1CCCN2CCC(CC2)(CN(CCCN3CCC(C1)(CC3)C4=CC=CC=C4)C)C5=CC=CC=C5
InChI
InChI=1S/C32H48N4/c1-33-19-9-21-35-25-17-32(18-26-35,30-13-7-4-8-14-30)28-34(2)20-10-22-36-23-15-31(27-33,16-24-36)29-11-5-3-6-12-29/h3-8,11-14H,9-10,15-28H2,1-2H3
InChIKey
SNQJIVDYNRPYBP-UHFFFAOYSA-N
Compound name
5,14-dimethyl-7,16-diphenyl-1,5,10,14-tetrazatricyclo[14.2.2.27,10]docosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.3879 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.39518 220.9
[M+Na]+ 511.37712 228.7
[M+NH4]+ 506.42172 230.0
[M+K]+ 527.35106 214.9
[M-H]- 487.38062 216.9
[M+Na-2H]- 509.36257 212.4
[M]+ 488.38735 220.5
[M]- 488.38845 220.5
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.