CID 213585

26756-89-8

Structural Information

Molecular Formula
C14H14N6
SMILES
CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C3=NNN=N3)C
InChI
InChI=1S/C14H14N6/c1-9-5-3-7-12(10(9)2)16-13-11(6-4-8-15-13)14-17-19-20-18-14/h3-8H,1-2H3,(H,15,16)(H,17,18,19,20)
InChIKey
GZUYCZQIVGLXTR-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-3-(2H-tetrazol-5-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.128 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.135276 162.2
[M+Na]+ 289.117218 171.7
[M-H]- 265.120724 165.0
[M+NH4]+ 284.161823 172.6
[M+K]+ 305.091158 164.8
[M+H-H2O]+ 249.125260 150.9
[M+HCOO]- 311.126201 181.4
[M+CH3COO]- 325.141851 172.6
[M+Na-2H]- 287.102666 167.8
[M]+ 266.12745142 160.7
[M]- 266.12854858 160.7
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.