CID 210629

Poli 134

Structural Information

Molecular Formula
C19H27N3O2
SMILES
CC(C)NCC(C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C19H27N3O2/c1-13(2)20-12-18(23)19-16-6-4-5-7-17(16)22(21-19)14-8-10-15(24-3)11-9-14/h8-11,13,18,20,23H,4-7,12H2,1-3H3
InChIKey
GBKBAMYIVCPODQ-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-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

329.21033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.21761 180.9
[M+Na]+ 352.19955 191.0
[M+NH4]+ 347.24415 187.6
[M+K]+ 368.17349 186.9
[M-H]- 328.20305 183.5
[M+Na-2H]- 350.18500 185.0
[M]+ 329.20978 182.8
[M]- 329.21088 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.