CID 3076083

129953-15-7

Structural Information

Molecular Formula
C32H40BrN3O8Si
SMILES
C[C@@]1(C(=O)C2=C3[C@@H](CN(C3=CC(=C2N1)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr)C(=O)OC
InChI
InChI=1S/C32H40BrN3O8Si/c1-31(2,3)45(9,10)44-20-13-19-22(23-25(20)35-32(4,28(23)37)30(39)43-8)17(14-33)15-36(19)29(38)18-11-16-12-21(40-5)26(41-6)27(42-7)24(16)34-18/h11-13,17,34-35H,14-15H2,1-10H3/t17-,32-/m1/s1
InChIKey
JOFAXIKTXNNFTO-HYJWCJBQSA-N
Compound name
methyl (2R,8S)-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

701.1768 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.18408 262.7
[M+Na]+ 724.16602 260.4
[M+NH4]+ 719.21062 261.6
[M+K]+ 740.13996 266.4
[M-H]- 700.16952 259.0
[M+Na-2H]- 722.15147 256.6
[M]+ 701.17625 260.0
[M]- 701.17735 260.0
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.