CID 4404857

3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C18H17N3O2
SMILES
COC1=CC=C(C=C1)C2C(C(=NN2)C3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)16-18(22)17(21-20-16)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18-20,22H,1H3
InChIKey
UKXRUPOIAKFFCM-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

307.13208 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 170.0
[M+Na]+ 330.121298 179.4
[M-H]- 306.124804 174.5
[M+NH4]+ 325.165903 183.4
[M+K]+ 346.095238 172.1
[M+H-H2O]+ 290.129340 161.4
[M+HCOO]- 352.130281 187.7
[M+CH3COO]- 366.145931 180.5
[M+Na-2H]- 328.106746 171.4
[M]+ 307.13153142 169.0
[M]- 307.13262858 169.0
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

No patent data available for this compound.