CID 512243

N-(benzotriazol-1-ylmethyl)-1-(propoxymethyl)pyridin-1-ium-3-amine

Structural Information

Molecular Formula
C16H20N5O
SMILES
CCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C16H20N5O/c1-2-10-22-13-20-9-5-6-14(11-20)17-12-21-16-8-4-3-7-15(16)18-19-21/h3-9,11,17H,2,10,12-13H2,1H3/q+1
InChIKey
FTXBGFRLRRYWLF-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-1-(propoxymethyl)pyridin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.16678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17406 170.1
[M+Na]+ 321.15600 178.6
[M-H]- 297.15950 172.9
[M+NH4]+ 316.20060 182.0
[M+K]+ 337.12994 167.6
[M+H-H2O]+ 281.16404 161.6
[M+HCOO]- 343.16498 191.1
[M+CH3COO]- 357.18063 198.8
[M+Na-2H]- 319.14145 180.1
[M]+ 298.16623 172.8
[M]- 298.16733 172.8
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.