CID 9800306

Amsilarotene

Structural Information

Molecular Formula
C20H27NO3Si2
SMILES
C[Si](C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)[Si](C)(C)C
InChI
InChI=1S/C20H27NO3Si2/c1-25(2,3)17-11-15(12-18(13-17)26(4,5)6)19(22)21-16-9-7-14(8-10-16)20(23)24/h7-13H,1-6H3,(H,21,22)(H,23,24)
InChIKey
VVTNSTLJOVCBDL-UHFFFAOYSA-N
Compound name
4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

262
Patents

385.15295 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16023 188.7
[M+Na]+ 408.14217 193.7
[M-H]- 384.14567 193.9
[M+NH4]+ 403.18677 200.7
[M+K]+ 424.11611 190.3
[M+H-H2O]+ 368.15021 181.3
[M+HCOO]- 430.15115 205.5
[M+CH3COO]- 444.16680 218.8
[M+Na-2H]- 406.12762 189.9
[M]+ 385.15240 189.8
[M]- 385.15350 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe