CID 129903205

(2r,5s,9s,10r,11e,14s,15e)-9-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),7,11,15,18-pentaene-3,17-dione

Structural Information

Molecular Formula
C32H35N3O3
SMILES
C[C@H]\1C/C=C/[C@H]2[C@@H](C(=C(C3[C@@]2(C4=CC=C(N4)C(=O)/C(=C1)/C)C(=O)N[C@H]3CC5=CNC6=CC=CC=C65)C)C)O
InChI
InChI=1S/C32H35N3O3/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/h5-7,9-14,16-17,23,26,28,30,33-34,37H,8,15H2,1-4H3,(H,35,38)/b10-7+,18-14+/t17-,23-,26-,28?,30+,32+/m0/s1
InChIKey
GOWKCIJMYLLGAI-JZIXQLGSSA-N
Compound name
(2R,5S,9S,10R,11E,14S,15E)-9-hydroxy-5-(1H-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),7,11,15,18-pentaene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.26785 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.27513 223.1
[M+Na]+ 532.25707 231.2
[M-H]- 508.26057 224.5
[M+NH4]+ 527.30167 232.5
[M+K]+ 548.23101 222.6
[M+H-H2O]+ 492.26511 219.4
[M+HCOO]- 554.26605 229.1
[M+CH3COO]- 568.28170 228.1
[M+Na-2H]- 530.24252 214.5
[M]+ 509.26730 219.8
[M]- 509.26840 219.8
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.