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 173.0
[M+Na]+ 322.18899 176.9
[M-H]- 298.19249 175.8
[M+NH4]+ 317.23359 186.9
[M+K]+ 338.16293 172.3
[M+H-H2O]+ 282.19703 164.0
[M+HCOO]- 344.19797 188.9
[M+CH3COO]- 358.21362 205.9
[M+Na-2H]- 320.17444 173.7
[M]+ 299.19922 169.7
[M]- 299.20032 169.7
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.