CID 129903206

(2r,5s,7s,8r,10s,11r,12e,15s,17s)-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,19-triene-3,18-dione

Structural Information

Molecular Formula
C32H37N3O3
SMILES
C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H](C4[C@@]2(C5=CC=C(N5)C(=O)[C@H](C1)C)C(=O)N[C@H]4CC6=CNC7=CC=CC=C76)C)C
InChI
InChI=1S/C32H37N3O3/c1-17-8-7-10-22-29-31(4,38-29)19(3)27-25(15-20-16-33-23-11-6-5-9-21(20)23)35-30(37)32(22,27)26-13-12-24(34-26)28(36)18(2)14-17/h5-7,9-13,16-19,22,25,27,29,33-34H,8,14-15H2,1-4H3,(H,35,37)/b10-7+/t17-,18-,19-,22-,25-,27?,29-,31+,32+/m0/s1
InChIKey
VZGSTMNMTIQFGF-BSFZANNBSA-N
Compound name
(2R,5S,7S,8R,10S,11R,12E,15S,17S)-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,19-triene-3,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.28348 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.29076 215.3
[M+Na]+ 534.27270 224.7
[M-H]- 510.27620 218.0
[M+NH4]+ 529.31730 222.0
[M+K]+ 550.24664 217.5
[M+H-H2O]+ 494.28074 213.4
[M+HCOO]- 556.28168 217.8
[M+CH3COO]- 570.29733 220.3
[M+Na-2H]- 532.25815 208.4
[M]+ 511.28293 215.1
[M]- 511.28403 215.1
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.