CID 6435995

Cosan 265

Structural Information

Molecular Formula
C16H30N8
SMILES
C1N2CN3CN1C[N+](C2)(C3)C/C=C/C[N+]45CN6CN(C4)CN(C6)C5
InChI
InChI=1S/C16H30N8/c1(3-23-11-17-5-18(12-23)7-19(6-17)13-23)2-4-24-14-20-8-21(15-24)10-22(9-20)16-24/h1-2H,3-16H2/q+2/b2-1+
InChIKey
RHBBTPSZCUVJEU-OWOJBTEDSA-N
Compound name
1-[(E)-4-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)but-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

334.25934 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.266616 146.2
[M+Na]+ 357.248558 140.6
[M-H]- 333.252064 128.6
[M+NH4]+ 352.293163 158.1
[M+K]+ 373.222498 127.9
[M+H-H2O]+ 317.256600 130.2
[M+HCOO]- 379.257541 130.3
[M+CH3COO]- 393.273191 145.0
[M+Na-2H]- 355.234006 161.1
[M]+ 334.25879142 141.0
[M]- 334.25988858 141.0
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.