CID 200264

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

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN(C)CCCOC1=NN(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c1-20(2)13-8-14-22-18-16-11-6-7-12-17(16)21(19-18)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey
MPUQRKHBAZHYJI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

295.16846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 170.0
[M+Na]+ 318.15768 178.1
[M-H]- 294.16118 176.5
[M+NH4]+ 313.20228 185.8
[M+K]+ 334.13162 174.0
[M+H-H2O]+ 278.16572 160.0
[M+HCOO]- 340.16666 194.1
[M+CH3COO]- 354.18231 181.9
[M+Na-2H]- 316.14313 175.5
[M]+ 295.16791 175.1
[M]- 295.16901 175.1
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