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 223.9
[M+Na]+ 565.26732 232.5
[M-H]- 541.27082 229.0
[M+NH4]+ 560.31192 227.8
[M+K]+ 581.24126 227.5
[M+H-H2O]+ 525.27536 222.5
[M+HCOO]- 587.27630 227.5
[M+CH3COO]- 601.29195 228.9
[M+Na-2H]- 563.25277 216.6
[M]+ 542.27755 224.0
[M]- 542.27865 224.0
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.