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]+ 286.133876 167.3
[M+Na]+ 308.115818 178.2
[M-H]- 284.119324 174.8
[M+NH4]+ 303.160423 181.5
[M+K]+ 324.089758 170.8
[M+H-H2O]+ 268.123860 156.4
[M+HCOO]- 330.124801 189.0
[M+CH3COO]- 344.140451 179.3
[M+Na-2H]- 306.101266 173.6
[M]+ 285.12605142 168.9
[M]- 285.12714858 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.