CID 476598

6-methyl-4-phenylpyrazolo[4,5-d]1,2,3-triazole-2-ylamine

Structural Information

Molecular Formula
C10H10N6
SMILES
CC1=NN(C2=NN(N=C12)N)C3=CC=CC=C3
InChI
InChI=1S/C10H10N6/c1-7-9-10(14-16(11)13-9)15(12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKey
URQWDROMMBQLBS-UHFFFAOYSA-N
Compound name
6-methyl-4-phenylpyrazolo[3,4-d]triazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.0967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10398 145.3
[M+Na]+ 237.08592 158.0
[M-H]- 213.08942 148.0
[M+NH4]+ 232.13052 161.8
[M+K]+ 253.05986 153.4
[M+H-H2O]+ 197.09396 135.8
[M+HCOO]- 259.09490 167.7
[M+CH3COO]- 273.11055 158.5
[M+Na-2H]- 235.07137 150.9
[M]+ 214.09615 147.2
[M]- 214.09725 147.2
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

No patent data available for this compound.