CID 202654

13073-16-0

Structural Information

Molecular Formula
C30H44N4
SMILES
C1CNCC2(CCN(CCCNCC3(CCN(C1)CC3)C4=CC=CC=C4)CC2)C5=CC=CC=C5
InChI
InChI=1S/C30H44N4/c1-3-9-27(10-4-1)29-13-21-33(22-14-29)19-8-18-32-26-30(28-11-5-2-6-12-28)15-23-34(24-16-30)20-7-17-31-25-29/h1-6,9-12,31-32H,7-8,13-26H2
InChIKey
DVGMRRFEANONDS-UHFFFAOYSA-N
Compound name
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

460.3566 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.36388 194.4
[M+Na]+ 483.34582 182.2
[M-H]- 459.34932 168.8
[M+NH4]+ 478.39042 195.9
[M+K]+ 499.31976 181.5
[M+H-H2O]+ 443.35386 184.7
[M+HCOO]- 505.35480 176.4
[M+CH3COO]- 519.37045 186.4
[M+Na-2H]- 481.33127 196.5
[M]+ 460.35605 177.6
[M]- 460.35715 177.6
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.