CID 3077340

134127-18-7

Structural Information

Molecular Formula
C32H40BrN3O7Si
SMILES
CC1=C(C2=C3C(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/C32H40BrN3O7Si/c1-16-23(31(38)42-8)25-24-18(14-33)15-36(20(24)13-21(27(25)34-16)43-44(9,10)32(2,3)4)30(37)19-11-17-12-22(39-5)28(40-6)29(41-7)26(17)35-19/h11-13,18,34-35H,14-15H2,1-10H3
InChIKey
KPVUMDOVWXSORV-UHFFFAOYSA-N
Compound name
methyl 8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

685.1819 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.18918 262.7
[M+Na]+ 708.17112 271.3
[M-H]- 684.17462 270.5
[M+NH4]+ 703.21572 270.5
[M+K]+ 724.14506 263.0
[M+H-H2O]+ 668.17916 263.3
[M+HCOO]- 730.18010 269.9
[M+CH3COO]- 744.19575 263.9
[M+Na-2H]- 706.15657 257.4
[M]+ 685.18135 291.9
[M]- 685.18245 291.9
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.