CID 131751214

Chaetoglobosin n

Structural Information

Molecular Formula
C33H38N2O5
SMILES
CC/1C/C=C/C2C3C(O3)(C(C4C2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)NC4C(C)C5=CNC6=CC=CC=C65)C)C
InChI
InChI=1S/C33H38N2O5/c1-17-9-8-11-23-30-32(5,40-30)20(4)27-28(19(3)22-16-34-24-12-7-6-10-21(22)24)35-31(39)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19-20,23,27-28,30,34H,9,13-14H2,1-5H3,(H,35,39)/b11-8+,18-15-
InChIKey
KPZHIOQEYKRXQD-OIJFLVMVSA-N
Compound name
(7Z,11E)-19-[1-(1H-indol-3-yl)ethyl]-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

542.2781 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.28538 223.5
[M+Na]+ 565.26732 236.5
[M+NH4]+ 560.31192 231.6
[M+K]+ 581.24126 231.4
[M-H]- 541.27082 235.0
[M+Na-2H]- 563.25277 227.7
[M]+ 542.27755 229.8
[M]- 542.27865 229.8
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.