CID 202651

I.s. 3361

Structural Information

Molecular Formula
C32H50N4
SMILES
C[N+]12CCCNCC3(CC[N+](CCCNCC(CC1)(CC2)C4=CC=CC=C4)(CC3)C)C5=CC=CC=C5
InChI
InChI=1S/C32H50N4/c1-35-21-9-19-33-28-32(30-13-7-4-8-14-30)17-25-36(2,26-18-32)22-10-20-34-27-31(15-23-35,16-24-35)29-11-5-3-6-12-29/h3-8,11-14,33-34H,9-10,15-28H2,1-2H3/q+2
InChIKey
ADYNARYJRBUIQT-UHFFFAOYSA-N
Compound name
1,10-dimethyl-7,16-diphenyl-5,14-diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.40353 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.41081 195.4
[M+Na]+ 513.39275 184.4
[M-H]- 489.39625 171.4
[M+NH4]+ 508.43735 198.9
[M+K]+ 529.36669 174.9
[M+H-H2O]+ 473.40079 185.7
[M+HCOO]- 535.40173 176.8
[M+CH3COO]- 549.41738 187.3
[M+Na-2H]- 511.37820 200.7
[M]+ 490.40298 178.1
[M]- 490.40408 178.1
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.