CID 443267

1-carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol

Structural Information

Molecular Formula
C20H21N3O
SMILES
CC1=CC(=NN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C
InChI
InChI=1S/C20H21N3O/c1-14-11-15(2)23(21-14)13-16(24)12-22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-11,16,24H,12-13H2,1-2H3
InChIKey
OMHHJCAKLOMROZ-UHFFFAOYSA-N
Compound name
1-carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

319.16846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 177.6
[M+Na]+ 342.15768 188.8
[M-H]- 318.16118 182.6
[M+NH4]+ 337.20228 193.4
[M+K]+ 358.13162 182.0
[M+H-H2O]+ 302.16572 168.8
[M+HCOO]- 364.16666 197.5
[M+CH3COO]- 378.18231 189.0
[M+Na-2H]- 340.14313 179.6
[M]+ 319.16791 182.8
[M]- 319.16901 182.8
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