CID 18347

Brn 2396651

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CNC2CCCCC2)C
InChI
InChI=1S/C20H30N2O3/c1-4-10-25-20(24)16-11-14(2)19(15(3)12-16)22-18(23)13-21-17-8-6-5-7-9-17/h11-12,17,21H,4-10,13H2,1-3H3,(H,22,23)
InChIKey
QFXWDDQXKGACFE-UHFFFAOYSA-N
Compound name
propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 186.1
[M+Na]+ 369.214868 187.9
[M-H]- 345.218374 191.2
[M+NH4]+ 364.259473 198.4
[M+K]+ 385.188808 185.0
[M+H-H2O]+ 329.222910 177.3
[M+HCOO]- 391.223851 205.1
[M+CH3COO]- 405.239501 219.7
[M+Na-2H]- 367.200316 184.3
[M]+ 346.22510142 184.2
[M]- 346.22619858 184.2
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.