CID 511357

Amino-tetramethyl-propyl-[?]one

Structural Information

Molecular Formula
C22H27NO4
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@@H](O4)C)C)N
InChI
InChI=1S/C22H27NO4/c1-6-7-13-10-15(24)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(23)11(2)12(3)25-19/h8-12,18H,6-7,23H2,1-5H3/t11-,12-,18-/m0/s1
InChIKey
SIIFOSXJDSZXFW-PZROIBLQSA-N
Compound name
(16S,17R,18S)-18-amino-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

369.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 193.1
[M+Na]+ 392.18322 203.7
[M-H]- 368.18672 201.4
[M+NH4]+ 387.22782 207.1
[M+K]+ 408.15716 202.3
[M+H-H2O]+ 352.19126 184.7
[M+HCOO]- 414.19220 206.0
[M+CH3COO]- 428.20785 203.8
[M+Na-2H]- 390.16867 197.1
[M]+ 369.19345 198.0
[M]- 369.19455 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

literature stripe

Patent stripe

No patent data available for this compound.