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]+ 308.13936 170.0
[M+Na]+ 330.12130 179.4
[M-H]- 306.12480 174.5
[M+NH4]+ 325.16590 183.4
[M+K]+ 346.09524 172.1
[M+H-H2O]+ 290.12934 161.4
[M+HCOO]- 352.13028 187.7
[M+CH3COO]- 366.14593 180.5
[M+Na-2H]- 328.10675 171.4
[M]+ 307.13153 169.0
[M]- 307.13263 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.