CID 194036

1h-indazole, 1-(3-(dimethylamino)propyl)-5-methyl-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C19H23N3
SMILES
CC1=CC2=C(C=C1)N(N=C2C3=CC=CC=C3)CCCN(C)C
InChI
InChI=1S/C19H23N3/c1-15-10-11-18-17(14-15)19(16-8-5-4-6-9-16)20-22(18)13-7-12-21(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3
InChIKey
RPMHNSAROBYJCB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5-methyl-3-phenylindazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

293.1892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.196476 171.8
[M+Na]+ 316.178418 180.7
[M-H]- 292.181924 178.5
[M+NH4]+ 311.223023 188.1
[M+K]+ 332.152358 175.6
[M+H-H2O]+ 276.186460 162.1
[M+HCOO]- 338.187401 195.4
[M+CH3COO]- 352.203051 183.8
[M+Na-2H]- 314.163866 176.0
[M]+ 293.18865142 176.3
[M]- 293.18974858 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe