CID 211822

Poli 136

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC(C)NCC(C1=NN(C2=C1CCCC2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H25N3O/c1-13(2)19-12-17(22)18-15-10-6-7-11-16(15)21(20-18)14-8-4-3-5-9-14/h3-5,8-9,13,17,19,22H,6-7,10-12H2,1-2H3
InChIKey
JWQWWYHJEFTCCD-UHFFFAOYSA-N
Compound name
1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.4
[M+Na]+ 322.18899 183.9
[M+NH4]+ 317.23359 180.9
[M+K]+ 338.16293 179.3
[M-H]- 298.19249 176.5
[M+Na-2H]- 320.17444 178.4
[M]+ 299.19922 175.5
[M]- 299.20032 175.5
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.