CID 11157361

804559-39-5

Structural Information

Molecular Formula
C24H29Br2ClN2Si
SMILES
C/C=C/C[Si]1(N([C@@H]2CCCC[C@H]2N1CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)Cl
InChI
InChI=1S/C24H29Br2ClN2Si/c1-2-3-16-30(27)28(17-19-8-12-21(25)13-9-19)23-6-4-5-7-24(23)29(30)18-20-10-14-22(26)15-11-20/h2-3,8-15,23-24H,4-7,16-18H2,1H3/b3-2+/t23-,24-/m1/s1
InChIKey
ZRWSDIWSVXXBNG-SESFFYHBSA-N
Compound name
(3aR,7aR)-1,3-bis[(4-bromophenyl)methyl]-2-[(E)-but-2-enyl]-2-chloro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazasilole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.0155 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.02278 211.1
[M+Na]+ 589.00472 206.6
[M+NH4]+ 584.04932 213.5
[M+K]+ 604.97866 208.9
[M-H]- 565.00822 213.5
[M+Na-2H]- 586.99017 211.1
[M]+ 566.01495 210.4
[M]- 566.01605 210.4
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.