CID 200442

1h-indazole, 3-(3-(dimethylamino)propoxy)-1-phenethyl-, monohydrochloride

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN(C)CCCOC1=NN(C2=CC=CC=C21)CCC3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-22(2)14-8-16-24-20-18-11-6-7-12-19(18)23(21-20)15-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3
InChIKey
QCEFLKRXVICRKW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[1-(2-phenylethyl)indazol-3-yl]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

323.19977 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 179.0
[M+Na]+ 346.18899 193.3
[M+NH4]+ 341.23359 187.1
[M+K]+ 362.16293 186.0
[M-H]- 322.19249 183.8
[M+Na-2H]- 344.17444 187.6
[M]+ 323.19922 182.5
[M]- 323.20032 182.5
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