CID 3072125

140447-66-1

Structural Information

Molecular Formula
C30H38BrN3O5Si
SMILES
CC1=CC2=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
InChI
InChI=1S/C30H38BrN3O5Si/c1-16-9-21-20-12-19(31)14-34(23(20)13-24(26(21)32-16)39-40(7,8)30(2,3)4)29(36)22-11-17-10-18(15-35)27(37-5)28(38-6)25(17)33-22/h9-11,13,19,32-33,35H,12,14-15H2,1-8H3
InChIKey
VWVGKUAOXRULEZ-UHFFFAOYSA-N
Compound name
[8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,7,8,9-tetrahydropyrrolo[3,2-f]quinolin-6-yl]-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indol-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.1764 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.18368 251.5
[M+Na]+ 650.16562 253.0
[M+NH4]+ 645.21022 251.6
[M+K]+ 666.13956 256.4
[M-H]- 626.16912 250.1
[M+Na-2H]- 648.15107 247.3
[M]+ 627.17585 250.1
[M]- 627.17695 250.1
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.