CID 200591

1h-indazole, 5-chloro-3-(3-(dimethylamino)propoxy)-1-(p-methoxybenzyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CN(C)CCCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H24ClN3O2/c1-23(2)11-4-12-26-20-18-13-16(21)7-10-19(18)24(22-20)14-15-5-8-17(25-3)9-6-15/h5-10,13H,4,11-12,14H2,1-3H3
InChIKey
HMBHPSVPEVUQLI-UHFFFAOYSA-N
Compound name
3-[5-chloro-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

373.1557 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 190.0
[M+Na]+ 396.14492 199.6
[M-H]- 372.14842 196.6
[M+NH4]+ 391.18952 203.9
[M+K]+ 412.11886 194.1
[M+H-H2O]+ 356.15296 180.2
[M+HCOO]- 418.15390 208.7
[M+CH3COO]- 432.16955 222.8
[M+Na-2H]- 394.13037 192.4
[M]+ 373.15515 200.1
[M]- 373.15625 200.1
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.