CID 6475896

Biphenyl-4-ylmethyl-((e)-3-phenyl-allyl)-[1,2,4]triazol-4-yl-amine

Structural Information

Molecular Formula
C24H22N4
SMILES
C1=CC=C(C=C1)/C=C/CN(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=NN=C4
InChI
InChI=1S/C24H22N4/c1-3-8-21(9-4-1)10-7-17-27(28-19-25-26-20-28)18-22-13-15-24(16-14-22)23-11-5-2-6-12-23/h1-16,19-20H,17-18H2/b10-7+
InChIKey
XKGZWKYJAQBPTM-JXMROGBWSA-N
Compound name
N-[(4-phenylphenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.18445 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19173 189.1
[M+Na]+ 389.17367 194.1
[M-H]- 365.17717 198.1
[M+NH4]+ 384.21827 197.8
[M+K]+ 405.14761 186.6
[M+H-H2O]+ 349.18171 175.6
[M+HCOO]- 411.18265 210.7
[M+CH3COO]- 425.19830 197.9
[M+Na-2H]- 387.15912 192.9
[M]+ 366.18390 188.3
[M]- 366.18500 188.3
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.