CID 71306577

2-(4-((trimethylsilyl)ethynyl)phenyl)-2,3-dihydro-1h-naphtho[1,8-de][1,3,2]diazaborinine

Structural Information

Molecular Formula
C21H21BN2Si
SMILES
B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(C=C4)C#C[Si](C)(C)C
InChI
InChI=1S/C21H21BN2Si/c1-25(2,3)15-14-16-10-12-18(13-11-16)22-23-19-8-4-6-17-7-5-9-20(24-22)21(17)19/h4-13,23-24H,1-3H3
InChIKey
MEPMEHWNLKPBPQ-UHFFFAOYSA-N
Compound name
2-[4-(2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yl)phenyl]ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1567 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16398 188.5
[M+Na]+ 363.14592 203.3
[M+NH4]+ 358.19052 193.6
[M+K]+ 379.11986 190.6
[M-H]- 339.14942 184.1
[M+Na-2H]- 361.13137 191.5
[M]+ 340.15615 188.9
[M]- 340.15725 188.9
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.