CID 168010260

Trikoveramide a

Structural Information

Molecular Formula
C40H58N4O8
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/C40H58N4O8/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/h1,13,15-16,18-19,24-27,29-34H,12,14,17,20-23H2,2-10H3,(H,41,45)/t27-,29-,30+,31+,32-,33-,34-/m0/s1
InChIKey
DIXVUYUBAUWGGM-BGXDYLHZSA-N
Compound name
(3R,6S,9S,12S,13R,16S,19S)-3-benzyl-7,12,17-trimethyl-13-pent-4-ynyl-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

722.4255 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.43278 259.1
[M+Na]+ 745.41472 262.8
[M-H]- 721.41822 257.3
[M+NH4]+ 740.45932 248.5
[M+K]+ 761.38866 257.6
[M+H-H2O]+ 705.42276 248.4
[M+HCOO]- 767.42370 251.1
[M+CH3COO]- 781.43935 281.3
[M+Na-2H]- 743.40017 240.2
[M]+ 722.42495 250.6
[M]- 722.42605 250.6
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.