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]+ 310.212506 176.4
[M+Na]+ 332.194448 180.1
[M-H]- 308.197954 177.1
[M+NH4]+ 327.239053 190.8
[M+K]+ 348.168388 178.7
[M+H-H2O]+ 292.202490 168.1
[M+HCOO]- 354.203431 192.5
[M+CH3COO]- 368.219081 210.2
[M+Na-2H]- 330.179896 175.2
[M]+ 309.20468142 178.1
[M]- 309.20577858 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.