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 266.3
[M+Na]+ 768.19222 272.4
[M-H]- 744.19572 273.0
[M+NH4]+ 763.23682 273.2
[M+K]+ 784.16616 266.2
[M+H-H2O]+ 728.20026 268.3
[M+HCOO]- 790.20120 269.9
[M+CH3COO]- 804.21685 272.8
[M+Na-2H]- 766.17767 261.6
[M]+ 745.20245 295.4
[M]- 745.20355 295.4
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.