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]+ 251.12912 159.8
[M+Na]+ 273.11106 167.8
[M-H]- 249.11456 162.5
[M+NH4]+ 268.15566 170.1
[M+K]+ 289.08500 160.8
[M+H-H2O]+ 233.11910 148.4
[M+HCOO]- 295.12004 176.5
[M+CH3COO]- 309.13569 169.7
[M+Na-2H]- 271.09651 167.0
[M]+ 250.12129 155.9
[M]- 250.12239 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.