CID 1289594

165670-57-5

Structural Information

Molecular Formula
C16H16N4
SMILES
CC(C)(C1=CC=CC=C1)N2N=C(N=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N4/c1-16(2,14-11-7-4-8-12-14)20-18-15(17-19-20)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKey
IRWNVNYVNZBWDD-UHFFFAOYSA-N
Compound name
5-phenyl-2-(2-phenylpropan-2-yl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

264.13748 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14476 161.7
[M+Na]+ 287.12670 177.2
[M+NH4]+ 282.17130 169.3
[M+K]+ 303.10064 171.5
[M-H]- 263.13020 165.6
[M+Na-2H]- 285.11215 173.1
[M]+ 264.13693 165.2
[M]- 264.13803 165.2
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