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]+ 340.20195 182.7
[M+Na]+ 362.18389 190.6
[M-H]- 338.18739 189.2
[M+NH4]+ 357.22849 196.8
[M+K]+ 378.15783 186.6
[M+H-H2O]+ 322.19193 172.3
[M+HCOO]- 384.19287 206.1
[M+CH3COO]- 398.20852 218.1
[M+Na-2H]- 360.16934 186.4
[M]+ 339.19412 190.2
[M]- 339.19522 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.