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 180.9
[M+Na]+ 364.15325 187.3
[M-H]- 340.15675 187.7
[M+NH4]+ 359.19785 188.7
[M+K]+ 380.12719 179.5
[M+H-H2O]+ 324.16129 168.2
[M+HCOO]- 386.16223 199.3
[M+CH3COO]- 400.17788 189.7
[M+Na-2H]- 362.13870 187.1
[M]+ 341.16348 177.9
[M]- 341.16458 177.9
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