CID 122388791

Dichloromanganese; (2e,12e)-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene

Structural Information

Molecular Formula
C13H19N5
SMILES
C1CNCCN=CC2=CC=CC(=N2)C=NCCN1
InChI
InChI=1S/C13H19N5/c1-2-12-10-16-8-6-14-4-5-15-7-9-17-11-13(3-1)18-12/h1-3,10-11,14-15H,4-9H2
InChIKey
STOVIPWEDHUNEH-UHFFFAOYSA-N
Compound name
3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.16405 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.17133 156.7
[M+Na]+ 268.15327 161.5
[M-H]- 244.15677 148.3
[M+NH4]+ 263.19787 163.8
[M+K]+ 284.12721 156.8
[M+H-H2O]+ 228.16131 149.7
[M+HCOO]- 290.16225 165.7
[M+CH3COO]- 304.17790 163.0
[M+Na-2H]- 266.13872 164.1
[M]+ 245.16350 145.6
[M]- 245.16460 145.6
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.