CID 200440

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

Structural Information

Molecular Formula
C16H24ClN3O
SMILES
CCCCN1C2=C(C=C(C=C2)Cl)C(=N1)OCCCN(C)C
InChI
InChI=1S/C16H24ClN3O/c1-4-5-10-20-15-8-7-13(17)12-14(15)16(18-20)21-11-6-9-19(2)3/h7-8,12H,4-6,9-11H2,1-3H3
InChIKey
HTXBTMAUXAAJBC-UHFFFAOYSA-N
Compound name
3-(1-butyl-5-chloroindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1608 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16808 174.6
[M+Na]+ 332.15002 184.0
[M-H]- 308.15352 177.7
[M+NH4]+ 327.19462 191.6
[M+K]+ 348.12396 179.3
[M+H-H2O]+ 292.15806 166.4
[M+HCOO]- 354.15900 193.2
[M+CH3COO]- 368.17465 212.1
[M+Na-2H]- 330.13547 177.5
[M]+ 309.16025 184.0
[M]- 309.16135 184.0
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.