CID 71454619

Viequeamide c

Structural Information

Molecular Formula
C44H67N5O9
SMILES
C[C@H]1C(=O)N[C@H](C(=O)O[C@H](C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N1C)CC3=CC=CC=C3)C(C)C)C)C(C)C)(C)C)CCCC=C)C(C)C
InChI
InChI=1S/C44H67N5O9/c1-13-14-16-23-33-44(9,10)43(56)46-34(26(2)3)40(53)48(12)36(28(6)7)42(55)57-32(25-30-20-17-15-18-21-30)39(52)49-24-19-22-31(49)38(51)47(11)29(8)37(50)45-35(27(4)5)41(54)58-33/h13,15,17-18,20-21,26-29,31-36H,1,14,16,19,22-25H2,2-12H3,(H,45,50)(H,46,56)/t29-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey
BDBPXKKUGNFRBV-ZBZKAUHLSA-N
Compound name
(3S,6S,9S,13S,16S,19S,22S)-3-benzyl-7,12,12,19,20-pentamethyl-13-pent-4-enyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

809.4939 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.50118 276.3
[M+Na]+ 832.48312 280.5
[M-H]- 808.48662 269.1
[M+NH4]+ 827.52772 274.6
[M+K]+ 848.45706 257.2
[M+H-H2O]+ 792.49116 251.9
[M+HCOO]- 854.49210 275.7
[M+CH3COO]- 868.50775 298.3
[M+Na-2H]- 830.46857 283.7
[M]+ 809.49335 284.6
[M]- 809.49445 284.6
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.