CID 24834231

102429-88-9

Structural Information

Molecular Formula
C24H21N5O2
SMILES
COC1=CC=C(C=C1)C2=C(N=NC(=N2)N/N=C/C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21N5O2/c1-30-20-12-8-18(9-13-20)22-23(19-10-14-21(31-2)15-11-19)27-29-24(26-22)28-25-16-17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,28,29)/b25-16+
InChIKey
WTFKEWNCEPGJSA-PCLIKHOPSA-N
Compound name
N-[(E)-benzylideneamino]-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.16953 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17681 201.1
[M+Na]+ 434.15875 207.9
[M-H]- 410.16225 210.8
[M+NH4]+ 429.20335 206.3
[M+K]+ 450.13269 200.9
[M+H-H2O]+ 394.16679 186.5
[M+HCOO]- 456.16773 223.9
[M+CH3COO]- 470.18338 209.6
[M+Na-2H]- 432.14420 207.5
[M]+ 411.16898 203.1
[M]- 411.17008 203.1
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.