CID 200254

1h-indazole, 1-(p-chlorobenzyl)-3-(2-(dimethylamino)ethoxy)-, monohydrochloride

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CN(C)CCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN3O/c1-21(2)11-12-23-18-16-5-3-4-6-17(16)22(20-18)13-14-7-9-15(19)10-8-14/h3-10H,11-13H2,1-2H3
InChIKey
IFBAPQDRZHKMSA-UHFFFAOYSA-N
Compound name
2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 177.7
[M+Na]+ 352.11872 187.5
[M-H]- 328.12222 184.1
[M+NH4]+ 347.16332 193.2
[M+K]+ 368.09266 181.7
[M+H-H2O]+ 312.12676 168.1
[M+HCOO]- 374.12770 196.9
[M+CH3COO]- 388.14335 189.4
[M+Na-2H]- 350.10417 181.8
[M]+ 329.12895 185.3
[M]- 329.13005 185.3
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.