CID 155543760

Chembl4525799

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCN(CC)C(=O)C1(CC1CNC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2O3/c1-3-18(4-2)14(19)16(12-8-6-5-7-9-12)10-13(16)11-17-15(20)21/h5-9,13,17H,3-4,10-11H2,1-2H3,(H,20,21)
InChIKey
WPUQFLWORYOJDZ-UHFFFAOYSA-N
Compound name
[2-(diethylcarbamoyl)-2-phenylcyclopropyl]methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.9
[M+Na]+ 313.15228 179.0
[M+NH4]+ 308.19688 176.9
[M+K]+ 329.12622 174.0
[M-H]- 289.15578 178.4
[M+Na-2H]- 311.13773 177.7
[M]+ 290.16251 174.0
[M]- 290.16361 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.