CID 3053676

70292-11-4

Structural Information

Molecular Formula
C20H16N4O
SMILES
CC1=C(N=NN1C2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C20H16N4O/c1-14-19(20(25)21-16-10-3-2-4-11-16)22-23-24(14)18-13-7-9-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,21,25)
InChIKey
SQZQDLLEACUBPC-UHFFFAOYSA-N
Compound name
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13242 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 177.2
[M+Na]+ 351.12164 186.5
[M-H]- 327.12514 184.8
[M+NH4]+ 346.16624 189.1
[M+K]+ 367.09558 179.6
[M+H-H2O]+ 311.12968 166.1
[M+HCOO]- 373.13062 199.0
[M+CH3COO]- 387.14627 188.1
[M+Na-2H]- 349.10709 182.9
[M]+ 328.13187 178.6
[M]- 328.13297 178.6
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.