CID 200258

1h-indazole, 1-butyl-5-chloro-3-(2-(dimethylamino)ethoxy)-, monohydrochloride

Structural Information

Molecular Formula
C15H22ClN3O
SMILES
CCCCN1C2=C(C=C(C=C2)Cl)C(=N1)OCCN(C)C
InChI
InChI=1S/C15H22ClN3O/c1-4-5-8-19-14-7-6-12(16)11-13(14)15(17-19)20-10-9-18(2)3/h6-7,11H,4-5,8-10H2,1-3H3
InChIKey
NCKPCHSMFCPHGZ-UHFFFAOYSA-N
Compound name
2-(1-butyl-5-chloroindazol-3-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14514 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15242 169.9
[M+Na]+ 318.13436 179.8
[M-H]- 294.13786 173.2
[M+NH4]+ 313.17896 187.5
[M+K]+ 334.10830 175.3
[M+H-H2O]+ 278.14240 161.9
[M+HCOO]- 340.14334 188.9
[M+CH3COO]- 354.15899 209.1
[M+Na-2H]- 316.11981 173.4
[M]+ 295.14459 178.9
[M]- 295.14569 178.9
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.