CID 26707

14478-73-0

Structural Information

Molecular Formula
C14H12N4
SMILES
C1=CC=C(C=C1)C2=NNC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,18)
InChIKey
VEYRTZVLYXCVCX-UHFFFAOYSA-N
Compound name
3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

26
Patents

236.1062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.113476 154.6
[M+Na]+ 259.095418 161.8
[M-H]- 235.098924 155.8
[M+NH4]+ 254.140023 164.5
[M+K]+ 275.069358 154.1
[M+H-H2O]+ 219.103460 143.7
[M+HCOO]- 281.104401 170.3
[M+CH3COO]- 295.120051 164.1
[M+Na-2H]- 257.080866 162.8
[M]+ 236.10565142 148.2
[M]- 236.10674858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe