CID 214740

34070-47-8

Structural Information

Molecular Formula
C16H27N3O3
SMILES
CCN(CC)CCOC(=O)C(C1=NN(C2=C1CCCC2)C)O
InChI
InChI=1S/C16H27N3O3/c1-4-19(5-2)10-11-22-16(21)15(20)14-12-8-6-7-9-13(12)18(3)17-14/h15,20H,4-11H2,1-3H3
InChIKey
QNDSWFLWEGBCDP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20523 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21251 176.4
[M+Na]+ 332.19445 180.1
[M-H]- 308.19795 177.1
[M+NH4]+ 327.23905 190.8
[M+K]+ 348.16839 178.7
[M+H-H2O]+ 292.20249 168.1
[M+HCOO]- 354.20343 192.5
[M+CH3COO]- 368.21908 210.2
[M+Na-2H]- 330.17990 175.2
[M]+ 309.20468 178.1
[M]- 309.20578 178.1
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.