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]+ 330.136776 177.7
[M+Na]+ 352.118718 187.5
[M-H]- 328.122224 184.1
[M+NH4]+ 347.163323 193.2
[M+K]+ 368.092658 181.7
[M+H-H2O]+ 312.126760 168.1
[M+HCOO]- 374.127701 196.9
[M+CH3COO]- 388.143351 189.4
[M+Na-2H]- 350.104166 181.8
[M]+ 329.12895142 185.3
[M]- 329.13004858 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.