CID 9575033

(z)-hydroxyimino-tetramethyl-propyl-[?]one

Structural Information

Molecular Formula
C22H25NO5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2/C(=N\O)/[C@@H]([C@H](O4)C)C
InChI
InChI=1S/C22H25NO5/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19-17(21)18(23-25)11(2)12(3)26-19/h8-12,25H,6-7H2,1-5H3/b23-18-/t11-,12-/m1/s1
InChIKey
MKYHKHXOUAADEQ-BWCXPGLLSA-N
Compound name
(16R,17S,18Z)-18-hydroxyimino-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

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 193.3
[M+Na]+ 406.162498 203.9
[M-H]- 382.166004 202.0
[M+NH4]+ 401.207103 206.8
[M+K]+ 422.136438 203.1
[M+H-H2O]+ 366.170540 184.7
[M+HCOO]- 428.171481 207.1
[M+CH3COO]- 442.187131 228.7
[M+Na-2H]- 404.147946 198.7
[M]+ 383.17273142 199.8
[M]- 383.17382858 199.8
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.