CID 215295

35401-80-0

Structural Information

Molecular Formula
C15H14N4
SMILES
CN1C(=NN=C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4/c1-19-15(13-10-6-3-7-11-13)17-16-14(18-19)12-8-4-2-5-9-12/h2-11H,1H3,(H,16,18)
InChIKey
NWSLGTNNYUDULG-UHFFFAOYSA-N
Compound name
2-methyl-3,6-diphenyl-1H-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.129116 159.8
[M+Na]+ 273.111058 167.8
[M-H]- 249.114564 162.5
[M+NH4]+ 268.155663 170.1
[M+K]+ 289.084998 160.8
[M+H-H2O]+ 233.119100 148.4
[M+HCOO]- 295.120041 176.5
[M+CH3COO]- 309.135691 169.7
[M+Na-2H]- 271.096506 167.0
[M]+ 250.12129142 155.9
[M]- 250.12238858 155.9
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.