CID 129903228

(2r,5s,7s,9s,10r,11e,14s,16s)-9-hydroxy-5-(1h-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,18-triene-3,17-dione

Structural Information

Molecular Formula
C32H37N3O3
SMILES
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H](C3[C@@]2(C4=CC=C(N4)C(=O)[C@H](C1)C)C(=O)N[C@H]3CC5=CNC6=CC=CC=C65)C)O
InChI
InChI=1S/C32H37N3O3/c1-17-8-7-10-23-30(37)20(4)19(3)28-26(15-21-16-33-24-11-6-5-9-22(21)24)35-31(38)32(23,28)27-13-12-25(34-27)29(36)18(2)14-17/h5-7,9-13,16-19,23,26,28,30,33-34,37H,4,8,14-15H2,1-3H3,(H,35,38)/b10-7+/t17-,18-,19+,23-,26-,28?,30+,32+/m0/s1
InChIKey
WLHBPBAMXYPYBT-QQORLMQHSA-N
Compound name
(2R,5S,7S,9S,10R,11E,14S,16S)-9-hydroxy-5-(1H-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,18-triene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.28348 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.29076 224.5
[M+Na]+ 534.27270 231.0
[M-H]- 510.27620 224.9
[M+NH4]+ 529.31730 233.6
[M+K]+ 550.24664 222.0
[M+H-H2O]+ 494.28074 221.0
[M+HCOO]- 556.28168 227.9
[M+CH3COO]- 570.29733 228.4
[M+Na-2H]- 532.25815 214.1
[M]+ 511.28293 217.7
[M]- 511.28403 217.7
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.