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
2
Annotation Hits

0
References

5
Patents

334.25934 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.26662 146.2
[M+Na]+ 357.24856 140.6
[M-H]- 333.25206 128.6
[M+NH4]+ 352.29316 158.1
[M+K]+ 373.22250 127.9
[M+H-H2O]+ 317.25660 130.2
[M+HCOO]- 379.25754 130.3
[M+CH3COO]- 393.27319 145.0
[M+Na-2H]- 355.23401 161.1
[M]+ 334.25879 141.0
[M]- 334.25989 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.