CID 135768710

6-[(3-methoxyphenyl)methyl]-4-methyl-5h,6h-[1,2]diazolo[3,4-c]pyrazol-3-amine

Structural Information

Molecular Formula
C13H15N5O
SMILES
CC1=NN(C2=NNC(=C12)N)CC3=CC(=CC=C3)OC
InChI
InChI=1S/C13H15N5O/c1-8-11-12(14)15-16-13(11)18(17-8)7-9-4-3-5-10(6-9)19-2/h3-6H,7H2,1-2H3,(H3,14,15,16)
InChIKey
NPUIXYSSORHFNL-UHFFFAOYSA-N
Compound name
6-[(3-methoxyphenyl)methyl]-4-methyl-2H-pyrazolo[3,4-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.12766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 157.9
[M+Na]+ 280.11688 169.4
[M-H]- 256.12038 160.5
[M+NH4]+ 275.16148 173.5
[M+K]+ 296.09082 164.1
[M+H-H2O]+ 240.12492 149.1
[M+HCOO]- 302.12586 179.3
[M+CH3COO]- 316.14151 170.0
[M+Na-2H]- 278.10233 161.0
[M]+ 257.12711 160.2
[M]- 257.12821 160.2
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.