CID 135478683

71123-44-9

Structural Information

Molecular Formula
C14H14N6
SMILES
C1=CC=C(C=C1)N=C2NNC(=NC3=CC=CC=C3)NN2
InChI
InChI=1S/C14H14N6/c1-3-7-11(8-4-1)15-13-17-19-14(20-18-13)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17,18)(H2,16,19,20)
InChIKey
SMXBXBVTBRGNKV-UHFFFAOYSA-N
Compound name
3-N,6-N-diphenyl-1,2,4,5-tetrazinane-3,6-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.128 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13528 161.6
[M+Na]+ 289.11722 173.6
[M+NH4]+ 284.16182 167.5
[M+K]+ 305.09116 166.6
[M-H]- 265.12072 165.4
[M+Na-2H]- 287.10267 170.6
[M]+ 266.12745 163.9
[M]- 266.12855 163.9
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.