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]+ 267.135276 160.9
[M+Na]+ 289.117218 165.1
[M-H]- 265.120724 161.6
[M+NH4]+ 284.161823 168.8
[M+K]+ 305.091158 156.8
[M+H-H2O]+ 249.125260 149.6
[M+HCOO]- 311.126201 176.4
[M+CH3COO]- 325.141851 168.5
[M+Na-2H]- 287.102666 168.6
[M]+ 266.12745142 149.2
[M]- 266.12854858 149.2
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.