CID 141671949

Dirocaftor

Structural Information

Molecular Formula
C22H28N2O3Si2
SMILES
C[Si](C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)[Si](C)(C)C
InChI
InChI=1S/C22H28N2O3Si2/c1-28(2,3)19-12-20(29(4,5)6)18(25)11-17(19)24-22(27)15-13-23-16-10-8-7-9-14(16)21(15)26/h7-13,25H,1-6H3,(H,23,26)(H,24,27)
InChIKey
TYQIFWXBQYAKCR-UHFFFAOYSA-N
Compound name
N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

198
Patents

424.16385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17113 201.2
[M+Na]+ 447.15307 207.9
[M-H]- 423.15657 204.9
[M+NH4]+ 442.19767 210.8
[M+K]+ 463.12701 202.3
[M+H-H2O]+ 407.16111 192.8
[M+HCOO]- 469.16205 214.8
[M+CH3COO]- 483.17770 224.9
[M+Na-2H]- 445.13852 203.9
[M]+ 424.16330 201.7
[M]- 424.16440 201.7
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

patents stripe