CID 66545112

5-(1,3-dioxan-2-yl)-1-methyl-1h-indazol-3-amine

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CN1C2=C(C=C(C=C2)C3OCCCO3)C(=N1)N
InChI
InChI=1S/C12H15N3O2/c1-15-10-4-3-8(7-9(10)11(13)14-15)12-16-5-2-6-17-12/h3-4,7,12H,2,5-6H2,1H3,(H2,13,14)
InChIKey
OGABMVRFQUBMIT-UHFFFAOYSA-N
Compound name
5-(1,3-dioxan-2-yl)-1-methylindazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.1
[M+Na]+ 256.10564 164.5
[M+NH4]+ 251.15024 159.2
[M+K]+ 272.07958 160.8
[M-H]- 232.10914 157.3
[M+Na-2H]- 254.09109 156.6
[M]+ 233.11587 154.7
[M]- 233.11697 154.7
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.