CID 6476878

N-[(e)-cinnamyl]-n-(1-naphthylmethyl)-1,2,4-triazol-1-amine

Structural Information

Molecular Formula
C22H20N4
SMILES
C1=CC=C(C=C1)/C=C/CN(CC2=CC=CC3=CC=CC=C32)N4C=NC=N4
InChI
InChI=1S/C22H20N4/c1-2-8-19(9-3-1)10-7-15-25(26-18-23-17-24-26)16-21-13-6-12-20-11-4-5-14-22(20)21/h1-14,17-18H,15-16H2/b10-7+
InChIKey
LSRQFSJNFVZZDV-JXMROGBWSA-N
Compound name
N-(naphthalen-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.1688 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17608 181.6
[M+Na]+ 363.15802 188.7
[M-H]- 339.16152 189.1
[M+NH4]+ 358.20262 193.0
[M+K]+ 379.13196 181.4
[M+H-H2O]+ 323.16606 169.2
[M+HCOO]- 385.16700 203.9
[M+CH3COO]- 399.18265 191.6
[M+Na-2H]- 361.14347 188.0
[M]+ 340.16825 183.1
[M]- 340.16935 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.