CID 29933492

109652-10-0

Structural Information

Molecular Formula
C20H16N4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=NNN=N4
InChI
InChI=1S/C20H16N4/c1-4-10-16(11-5-1)20(19-21-23-24-22-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22,23,24)
InChIKey
ABPZRLQZVHPPCT-UHFFFAOYSA-N
Compound name
5-trityl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

312.13748 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.144756 173.2
[M+Na]+ 335.126698 179.6
[M-H]- 311.130204 178.9
[M+NH4]+ 330.171303 181.7
[M+K]+ 351.100638 171.6
[M+H-H2O]+ 295.134740 161.0
[M+HCOO]- 357.135681 190.0
[M+CH3COO]- 371.151331 182.2
[M+Na-2H]- 333.112146 180.3
[M]+ 312.13693142 169.2
[M]- 312.13802858 169.2
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