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]+ 275.12914 160.7
[M+Na]+ 297.11108 170.7
[M-H]- 273.11458 165.7
[M+NH4]+ 292.15568 176.1
[M+K]+ 313.08502 163.8
[M+H-H2O]+ 257.11912 150.4
[M+HCOO]- 319.12006 182.7
[M+CH3COO]- 333.13571 172.5
[M+Na-2H]- 295.09653 170.5
[M]+ 274.12131 162.1
[M]- 274.12241 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.