CID 102093917

Chaetoglobosinc

Structural Information

Molecular Formula
C32H36N2O5
SMILES
C[C@H]/1C/C=C\[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C
InChI
InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7-,18-14-/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1
InChIKey
RIZAHVBYKWUPHQ-MASOQXDXSA-N
Compound name
(1R,7Z,9S,11Z,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.26245 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.269726 221.5
[M+Na]+ 551.251668 230.9
[M-H]- 527.255174 226.8
[M+NH4]+ 546.296273 226.1
[M+K]+ 567.225608 225.5
[M+H-H2O]+ 511.259710 219.7
[M+HCOO]- 573.260651 226.4
[M+CH3COO]- 587.276301 227.0
[M+Na-2H]- 549.237116 215.4
[M]+ 528.26190142 221.8
[M]- 528.26299858 221.8
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.