CID 484473

N,n-bis(1-naphthylmethyl)-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C24H20N4
SMILES
C1=CC=C2C(=C1)C=CC=C2CN(CC3=CC=CC4=CC=CC=C43)N5C=NN=C5
InChI
InChI=1S/C24H20N4/c1-3-13-23-19(7-1)9-5-11-21(23)15-27(28-17-25-26-18-28)16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,17-18H,15-16H2
InChIKey
SCORWFPIYMWDQC-UHFFFAOYSA-N
Compound name
N,N-bis(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.1688 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17608 186.9
[M+Na]+ 387.15802 194.8
[M-H]- 363.16152 195.4
[M+NH4]+ 382.20262 198.2
[M+K]+ 403.13196 186.9
[M+H-H2O]+ 347.16606 174.0
[M+HCOO]- 409.16700 207.7
[M+CH3COO]- 423.18265 196.6
[M+Na-2H]- 385.14347 194.1
[M]+ 364.16825 188.6
[M]- 364.16935 188.6
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.