CID 215897

36757-46-7

Structural Information

Molecular Formula
C12H9ClN6
SMILES
C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C3=NNN=N3
InChI
InChI=1S/C12H9ClN6/c13-8-3-5-9(6-4-8)15-11-10(2-1-7-14-11)12-16-18-19-17-12/h1-7H,(H,14,15)(H,16,17,18,19)
InChIKey
ALXLDRULJSKQTC-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(2H-tetrazol-5-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06498 157.8
[M+Na]+ 295.04692 167.7
[M-H]- 271.05042 159.9
[M+NH4]+ 290.09152 168.3
[M+K]+ 311.02086 160.1
[M+H-H2O]+ 255.05496 146.3
[M+HCOO]- 317.05590 172.7
[M+CH3COO]- 331.07155 168.2
[M+Na-2H]- 293.03237 164.7
[M]+ 272.05715 157.0
[M]- 272.05825 157.0
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

No patent data available for this compound.