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 165.2
[M+Na]+ 313.15228 171.2
[M-H]- 289.15578 172.3
[M+NH4]+ 308.19688 177.2
[M+K]+ 329.12622 169.1
[M+H-H2O]+ 273.16032 159.0
[M+HCOO]- 335.16126 187.8
[M+CH3COO]- 349.17691 209.3
[M+Na-2H]- 311.13773 168.1
[M]+ 290.16251 169.2
[M]- 290.16361 169.2
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.