CID 3076089

129982-35-0

Structural Information

Molecular Formula
C34H44BrN3O9Si
SMILES
CC(=O)OC1C2=C3C(CN(C3=CC(=C2NC1(C)C(=O)OC)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr
InChI
InChI=1S/C34H44BrN3O9Si/c1-17(39)46-30-25-24-19(15-35)16-38(31(40)20-12-18-13-23(42-6)28(43-7)29(44-8)26(18)36-20)21(24)14-22(47-48(10,11)33(2,3)4)27(25)37-34(30,5)32(41)45-9/h12-14,19,30,36-37H,15-16H2,1-11H3
InChIKey
DERWIVTUIJCWFP-UHFFFAOYSA-N
Compound name
methyl 1-acetyloxy-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

745.203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.21028 269.6
[M+Na]+ 768.19222 266.3
[M+NH4]+ 763.23682 267.7
[M+K]+ 784.16616 273.1
[M-H]- 744.19572 265.3
[M+Na-2H]- 766.17767 262.9
[M]+ 745.20245 266.5
[M]- 745.20355 266.5
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.