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 151.5
[M+Na]+ 256.10564 160.5
[M-H]- 232.10914 157.6
[M+NH4]+ 251.15024 166.5
[M+K]+ 272.07958 158.9
[M+H-H2O]+ 216.11368 143.4
[M+HCOO]- 278.11462 170.5
[M+CH3COO]- 292.13027 164.0
[M+Na-2H]- 254.09109 157.2
[M]+ 233.11587 151.3
[M]- 233.11697 151.3
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.