CID 3053677

70292-12-5

Structural Information

Molecular Formula
C19H15N3
SMILES
CC1=C(N=NN1C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H15N3/c1-14-19(16-9-3-2-4-10-16)20-21-22(14)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKey
WDWFIOIBHBOPRJ-UHFFFAOYSA-N
Compound name
5-methyl-1-naphthalen-1-yl-4-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1266 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13388 167.3
[M+Na]+ 308.11582 178.2
[M-H]- 284.11932 174.8
[M+NH4]+ 303.16042 181.5
[M+K]+ 324.08976 170.8
[M+H-H2O]+ 268.12386 156.4
[M+HCOO]- 330.12480 189.0
[M+CH3COO]- 344.14045 179.3
[M+Na-2H]- 306.10127 173.6
[M]+ 285.12605 168.9
[M]- 285.12715 168.9
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.