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 205.6
[M+Na]+ 511.37712 194.1
[M-H]- 487.38062 181.8
[M+NH4]+ 506.42172 207.3
[M+K]+ 527.35106 193.7
[M+H-H2O]+ 471.38516 194.8
[M+HCOO]- 533.38610 188.6
[M+CH3COO]- 547.40175 197.8
[M+Na-2H]- 509.36257 205.6
[M]+ 488.38735 191.4
[M]- 488.38845 191.4
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.