CID 2812908

Maybridge3_002404

Structural Information

Molecular Formula
C19H24N2O3
SMILES
C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CCCCC3C(=O)O
InChI
InChI=1S/C19H24N2O3/c22-18(14-8-2-3-9-15(14)19(23)24)20-16-10-4-5-11-17(16)21-12-6-1-7-13-21/h4-5,8,10-11,15H,1-3,6-7,9,12-13H2,(H,20,22)(H,23,24)
InChIKey
TXFIHWNQICKWKX-UHFFFAOYSA-N
Compound name
2-[(2-piperidin-1-ylphenyl)carbamoyl]cyclohex-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 178.0
[M+Na]+ 351.167898 178.8
[M-H]- 327.171404 183.0
[M+NH4]+ 346.212503 188.1
[M+K]+ 367.141838 174.8
[M+H-H2O]+ 311.175940 168.1
[M+HCOO]- 373.176881 191.9
[M+CH3COO]- 387.192531 208.1
[M+Na-2H]- 349.153346 177.3
[M]+ 328.17813142 169.3
[M]- 328.17922858 169.3
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.