CID 3802025

134627-20-6

Structural Information

Molecular Formula
C17H14N4
SMILES
C1=CC=C2C=C(C=CC2=C1)NCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H14N4/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-21-17-8-4-3-7-16(17)19-20-21/h1-11,18H,12H2
InChIKey
BULIYNSZVODELS-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12186 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.129136 160.7
[M+Na]+ 297.111078 170.7
[M-H]- 273.114584 165.7
[M+NH4]+ 292.155683 176.1
[M+K]+ 313.085018 163.8
[M+H-H2O]+ 257.119120 150.4
[M+HCOO]- 319.120061 182.7
[M+CH3COO]- 333.135711 172.5
[M+Na-2H]- 295.096526 170.5
[M]+ 274.12131142 162.1
[M]- 274.12240858 162.1
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.