CID 5339522

101379-65-1

Structural Information

Molecular Formula
C23H19N5O
SMILES
COC1=CC=C(C=C1)/C=N/NC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H19N5O/c1-29-20-14-12-17(13-15-20)16-24-27-23-25-21(18-8-4-2-5-9-18)22(26-28-23)19-10-6-3-7-11-19/h2-16H,1H3,(H,25,27,28)/b24-16+
InChIKey
FJQGTRYGTJYVLZ-LFVJCYFKSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15897 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16625 192.7
[M+Na]+ 404.14819 199.4
[M-H]- 380.15169 202.2
[M+NH4]+ 399.19279 199.0
[M+K]+ 420.12213 191.7
[M+H-H2O]+ 364.15623 178.5
[M+HCOO]- 426.15717 215.7
[M+CH3COO]- 440.17282 201.6
[M+Na-2H]- 402.13364 200.5
[M]+ 381.15842 192.7
[M]- 381.15952 192.7
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.