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]+ 347.23293 186.1
[M+Na]+ 369.21487 187.9
[M-H]- 345.21837 191.2
[M+NH4]+ 364.25947 198.4
[M+K]+ 385.18881 185.0
[M+H-H2O]+ 329.22291 177.3
[M+HCOO]- 391.22385 205.1
[M+CH3COO]- 405.23950 219.7
[M+Na-2H]- 367.20032 184.3
[M]+ 346.22510 184.2
[M]- 346.22620 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.