CID 4152947

3,6-dimethyl-1,2,3,4,5,6-hexaphenyl-1,2,4,5-tetraaza-3,6-disilacyclohexane

Structural Information

Molecular Formula
C38H36N4Si2
SMILES
C[Si]1(N(N([Si](N(N1C2=CC=CC=C2)C3=CC=CC=C3)(C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C38H36N4Si2/c1-43(37-29-17-7-18-30-37)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)44(2,38-31-19-8-20-32-38)42(36-27-15-6-16-28-36)40(43)34-23-11-4-12-24-34/h3-32H,1-2H3
InChIKey
NDQPWFARELMLLC-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.24786 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.25514 253.6
[M+Na]+ 627.23708 257.4
[M-H]- 603.24058 265.9
[M+NH4]+ 622.28168 251.9
[M+K]+ 643.21102 245.8
[M+H-H2O]+ 587.24512 230.8
[M+HCOO]- 649.24606 262.9
[M+CH3COO]- 663.26171 255.5
[M+Na-2H]- 625.22253 252.6
[M]+ 604.24731 245.6
[M]- 604.24841 245.6
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.