CID 447980

N,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine

Structural Information

Molecular Formula
C15H13Cl2N5
SMILES
C1=CC(=CC=C1CN(CC2=CC=C(C=C2)Cl)C3=NNN=N3)Cl
InChI
InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)
InChIKey
UOUXILZUBDIWQU-UHFFFAOYSA-N
Compound name
N,N-bis[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

333.0548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06208 172.2
[M+Na]+ 356.04402 181.0
[M-H]- 332.04752 175.6
[M+NH4]+ 351.08862 182.6
[M+K]+ 372.01796 173.4
[M+H-H2O]+ 316.05206 160.5
[M+HCOO]- 378.05300 182.7
[M+CH3COO]- 392.06865 181.7
[M+Na-2H]- 354.02947 175.9
[M]+ 333.05425 174.3
[M]- 333.05535 174.3
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