CID 57355261

885278-28-4

Structural Information

Molecular Formula
C21H19N5
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)CN
InChI
InChI=1S/C21H19N5/c22-16-20-23-24-25-26(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2
InChIKey
IUGOPUGMYSNRTE-UHFFFAOYSA-N
Compound name
(1-trityltetrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

341.16403 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17131 181.8
[M+Na]+ 364.15325 197.6
[M+NH4]+ 359.19785 189.0
[M+K]+ 380.12719 191.0
[M-H]- 340.15675 188.5
[M+Na-2H]- 362.13870 195.1
[M]+ 341.16348 186.1
[M]- 341.16458 186.1
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

patents stripe