CID 307907

1-benzyl-5-phenyl-1h-tetraazole

Structural Information

Molecular Formula
C14H12N4
SMILES
C1=CC=C(C=C1)CN2C(=NN=N2)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4/c1-3-7-12(8-4-1)11-18-14(15-16-17-18)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
YTRHEDWQEBRFOU-UHFFFAOYSA-N
Compound name
1-benzyl-5-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

236.1062 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 152.4
[M+Na]+ 259.09542 161.3
[M-H]- 235.09892 156.9
[M+NH4]+ 254.14002 165.7
[M+K]+ 275.06936 155.8
[M+H-H2O]+ 219.10346 141.2
[M+HCOO]- 281.10440 173.4
[M+CH3COO]- 295.12005 164.1
[M+Na-2H]- 257.08087 159.3
[M]+ 236.10565 151.9
[M]- 236.10675 151.9
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