CID 422114

Nsc141562

Structural Information

Molecular Formula
C17H22N5
SMILES
CC1=NC2=CC=CC=C2C=C1C[N+]34CN5CN(C3)CN(C5)C4
InChI
InChI=1S/C17H22N5/c1-14-16(6-15-4-2-3-5-17(15)18-14)7-22-11-19-8-20(12-22)10-21(9-19)13-22/h2-6H,7-13H2,1H3/q+1
InChIKey
WUDDCJVFMGUJAJ-UHFFFAOYSA-N
Compound name
1-[(2-methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.18753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19481 163.6
[M+Na]+ 319.17675 166.9
[M-H]- 295.18025 156.6
[M+NH4]+ 314.22135 179.1
[M+K]+ 335.15069 156.0
[M+H-H2O]+ 279.18479 151.6
[M+HCOO]- 341.18573 163.7
[M+CH3COO]- 355.20138 169.0
[M+Na-2H]- 317.16220 177.5
[M]+ 296.18698 162.0
[M]- 296.18808 162.0
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.