CID 3072124

140447-65-0

Structural Information

Molecular Formula
C32H40BrN3O7Si
SMILES
CC1=C(C2=C3CC(CN(C3=CC(=C2N1)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)CO)Br)C(=O)OC
InChI
InChI=1S/C32H40BrN3O7Si/c1-16-24(31(39)42-7)25-20-12-19(33)14-36(22(20)13-23(27(25)34-16)43-44(8,9)32(2,3)4)30(38)21-11-17-10-18(15-37)28(40-5)29(41-6)26(17)35-21/h10-11,13,19,34-35,37H,12,14-15H2,1-9H3
InChIKey
DDILWAPXTIDTLB-UHFFFAOYSA-N
Compound name
methyl 8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-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 261.0
[M+Na]+ 708.17112 261.3
[M+NH4]+ 703.21572 259.6
[M+K]+ 724.14506 266.1
[M-H]- 684.17462 258.6
[M+Na-2H]- 706.15657 255.4
[M]+ 685.18135 259.0
[M]- 685.18245 259.0
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.