CID 168010252

Trikoveramide b

Structural Information

Molecular Formula
C40H60N4O8
SMILES
C[C@H]1[C@H](OC(=O)[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@@H](NC1=O)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CCCC=C
InChI
InChI=1S/C40H60N4O8/c1-11-12-14-21-30-27(8)35(45)41-32(24(2)3)38(48)43(10)34(26(6)7)40(50)52-31(23-28-18-15-13-16-19-28)37(47)44-22-17-20-29(44)36(46)42(9)33(25(4)5)39(49)51-30/h11,13,15-16,18-19,24-27,29-34H,1,12,14,17,20-23H2,2-10H3,(H,41,45)/t27-,29-,30+,31+,32-,33-,34-/m0/s1
InChIKey
CPFFJEDBIGCYAV-BGXDYLHZSA-N
Compound name
(3R,6S,9S,12S,13R,16S,19S)-3-benzyl-7,12,17-trimethyl-13-pent-4-enyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

724.4411 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.44838 273.7
[M+Na]+ 747.43032 275.1
[M-H]- 723.43382 275.4
[M+NH4]+ 742.47492 262.9
[M+K]+ 763.40426 272.3
[M+H-H2O]+ 707.43836 269.8
[M+HCOO]- 769.43930 269.1
[M+CH3COO]- 783.45495 285.3
[M+Na-2H]- 745.41577 253.8
[M]+ 724.44055 270.9
[M]- 724.44165 270.9
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.