CID 124222830

189264-25-3

Structural Information

Molecular Formula
C23H28BF2N2
SMILES
[B-]1(N2C(C(=C(C2=C(C3=C(C(=C(N31)C)CC)C)C4=CC=CC=C4)C)CC)C)(F)F
InChI
InChI=1S/C23H28BF2N2/c1-7-19-14(3)22-21(18-12-10-9-11-13-18)23-15(4)20(8-2)17(6)28(23)24(25,26)27(22)16(19)5/h9-13,16H,7-8H2,1-6H3/q-1
InChIKey
LHEDULLAOJEZKY-UHFFFAOYSA-N
Compound name
5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.23135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23863 196.1
[M+Na]+ 404.22057 208.6
[M+NH4]+ 399.26517 204.1
[M+K]+ 420.19451 202.3
[M-H]- 380.22407 197.1
[M+Na-2H]- 402.20602 198.5
[M]+ 381.23080 198.0
[M]- 381.23190 198.0
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.