CID 139591603

Floridamide

Structural Information

Molecular Formula
C33H50N4O6
SMILES
CCCCCC1C(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)C)CC3=CC=CC=C3)C)(C)C
InChI
InChI=1S/C33H50N4O6/c1-8-9-11-18-26-33(5,6)32(42)37-19-14-17-24(37)30(40)36(7)25(20-23-15-12-10-13-16-23)29(39)34-22(4)28(38)35-27(21(2)3)31(41)43-26/h10,12-13,15-16,21-22,24-27H,8-9,11,14,17-20H2,1-7H3,(H,34,39)(H,35,38)
InChIKey
KDCDMMXOSHLPFR-UHFFFAOYSA-N
Compound name
13-benzyl-3,3,10,14-tetramethyl-4-pentyl-7-propan-2-yl-5-oxa-1,8,11,14-tetrazabicyclo[14.3.0]nonadecane-2,6,9,12,15-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.37305 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.38033 246.9
[M+Na]+ 621.36227 250.4
[M-H]- 597.36577 245.9
[M+NH4]+ 616.40687 244.0
[M+K]+ 637.33621 245.7
[M+H-H2O]+ 581.37031 242.0
[M+HCOO]- 643.37125 246.5
[M+CH3COO]- 657.38690 255.9
[M+Na-2H]- 619.34772 233.5
[M]+ 598.37250 241.7
[M]- 598.37360 241.7
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.