CID 652386

5-(3,4-dimethoxyphenyl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C10H12N4O2
SMILES
COC1=C(C=C(C=C1)C2=NC(=NN2)N)OC
InChI
InChI=1S/C10H12N4O2/c1-15-7-4-3-6(5-8(7)16-2)9-12-10(11)14-13-9/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKey
AHCGZNXGBCOYSI-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

220.09602 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.103296 147.1
[M+Na]+ 243.085238 156.7
[M-H]- 219.088744 149.1
[M+NH4]+ 238.129843 162.3
[M+K]+ 259.059178 153.2
[M+H-H2O]+ 203.093280 138.4
[M+HCOO]- 265.094221 169.0
[M+CH3COO]- 279.109871 187.5
[M+Na-2H]- 241.070686 151.5
[M]+ 220.09547142 147.5
[M]- 220.09656858 147.5
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