CID 3072126

140447-68-3

Structural Information

Molecular Formula
C32H40ClN3O7Si
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)Cl)C(=O)OC
InChI
InChI=1S/C32H40ClN3O7Si/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
BCGLXMOUEHQOHF-UHFFFAOYSA-N
Compound name
methyl 4-[tert-butyl(dimethyl)silyl]oxy-8-chloro-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

641.2324 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.23968 253.2
[M+Na]+ 664.22162 263.9
[M+NH4]+ 659.26622 255.3
[M+K]+ 680.19556 263.7
[M-H]- 640.22512 252.4
[M+Na-2H]- 662.20707 251.5
[M]+ 641.23185 254.6
[M]- 641.23295 254.6
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.