CID 3072127

140447-69-4

Structural Information

Molecular Formula
C30H38ClN3O5Si
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)Cl
InChI
InChI=1S/C30H38ClN3O5Si/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
GCSQEMQKLYWNES-UHFFFAOYSA-N
Compound name
[4-[tert-butyl(dimethyl)silyl]oxy-8-chloro-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

583.2269 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.23418 247.7
[M+Na]+ 606.21612 255.8
[M-H]- 582.21962 251.0
[M+NH4]+ 601.26072 254.1
[M+K]+ 622.19006 249.6
[M+H-H2O]+ 566.22416 240.6
[M+HCOO]- 628.22510 249.8
[M+CH3COO]- 642.24075 251.3
[M+Na-2H]- 604.20157 243.9
[M]+ 583.22635 256.6
[M]- 583.22745 256.6
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.