CID 288262

N-(benzylideneamino)-5,6-diphenyl-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C22H17N5
SMILES
C1=CC=C(C=C1)C=NNC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H17N5/c1-4-10-17(11-5-1)16-23-26-22-24-20(18-12-6-2-7-13-18)21(25-27-22)19-14-8-3-9-15-19/h1-16H,(H,24,26,27)
InChIKey
MNKWLIBXAZTVKL-UHFFFAOYSA-N
Compound name
N-(benzylideneamino)-5,6-diphenyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1484 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15568 184.1
[M+Na]+ 374.13762 190.6
[M-H]- 350.14112 193.3
[M+NH4]+ 369.18222 191.5
[M+K]+ 390.11156 182.3
[M+H-H2O]+ 334.14566 170.2
[M+HCOO]- 396.14660 207.3
[M+CH3COO]- 410.16225 193.3
[M+Na-2H]- 372.12307 193.3
[M]+ 351.14785 182.1
[M]- 351.14895 182.1
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.