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 263.7
[M+Na]+ 708.17112 263.4
[M+NH4]+ 703.21572 262.3
[M+K]+ 724.14506 269.8
[M-H]- 684.17462 261.1
[M+Na-2H]- 706.15657 257.7
[M]+ 685.18135 261.6
[M]- 685.18245 261.6
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.