CID 200256

1h-indazole, 3-(3-(dimethylamino)propoxy)-1-(p-methoxybenzyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H25N3O2/c1-22(2)13-6-14-25-20-18-7-4-5-8-19(18)23(21-20)15-16-9-11-17(24-3)12-10-16/h4-5,7-12H,6,13-15H2,1-3H3
InChIKey
OKDUVSIDQPYILO-UHFFFAOYSA-N
Compound name
3-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 182.7
[M+Na]+ 362.183888 190.6
[M-H]- 338.187394 189.2
[M+NH4]+ 357.228493 196.8
[M+K]+ 378.157828 186.6
[M+H-H2O]+ 322.191930 172.3
[M+HCOO]- 384.192871 206.1
[M+CH3COO]- 398.208521 218.1
[M+Na-2H]- 360.169336 186.4
[M]+ 339.19412142 190.2
[M]- 339.19521858 190.2
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.