CID 155124

Brn 0694443

Structural Information

Molecular Formula
C19H25N3O
SMILES
CCN1C(=C2C(=N1)C3=CC=CC=C3C2(C4CCN(CC4)C)O)C
InChI
InChI=1S/C19H25N3O/c1-4-22-13(2)17-18(20-22)15-7-5-6-8-16(15)19(17,23)14-9-11-21(3)12-10-14/h5-8,14,23H,4,9-12H2,1-3H3
InChIKey
LKRUIVOGRUCNGJ-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-4-(1-methylpiperidin-4-yl)indeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 177.9
[M+Na]+ 334.18899 187.0
[M-H]- 310.19249 181.6
[M+NH4]+ 329.23359 196.0
[M+K]+ 350.16293 180.8
[M+H-H2O]+ 294.19703 169.4
[M+HCOO]- 356.19797 192.1
[M+CH3COO]- 370.21362 188.1
[M+Na-2H]- 332.17444 177.0
[M]+ 311.19922 177.0
[M]- 311.20032 177.0
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.