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]+ 329.139696 177.2
[M+Na]+ 351.121638 186.5
[M-H]- 327.125144 184.8
[M+NH4]+ 346.166243 189.1
[M+K]+ 367.095578 179.6
[M+H-H2O]+ 311.129680 166.1
[M+HCOO]- 373.130621 199.0
[M+CH3COO]- 387.146271 188.1
[M+Na-2H]- 349.107086 182.9
[M]+ 328.13187142 178.6
[M]- 328.13296858 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.