CID 93603

57269-19-9

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCOC(=O)CC1=CC=C(C=C1)C(=O)N2CCC3CC2N(C3)C
InChI
InChI=1S/C18H24N2O3/c1-3-23-17(21)11-13-4-6-15(7-5-13)18(22)20-9-8-14-10-16(20)19(2)12-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKey
BRHCJSYLVUWFLP-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(7-methyl-2,7-diazabicyclo[3.2.1]octane-2-carbonyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 176.4
[M+Na]+ 339.16790 186.3
[M+NH4]+ 334.21250 183.1
[M+K]+ 355.14184 182.3
[M-H]- 315.17140 177.0
[M+Na-2H]- 337.15335 178.1
[M]+ 316.17813 177.6
[M]- 316.17923 177.6
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.