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]+ 384.18056 193.3
[M+Na]+ 406.16250 203.9
[M-H]- 382.16600 202.0
[M+NH4]+ 401.20710 206.8
[M+K]+ 422.13644 203.1
[M+H-H2O]+ 366.17054 184.7
[M+HCOO]- 428.17148 207.1
[M+CH3COO]- 442.18713 228.7
[M+Na-2H]- 404.14795 198.7
[M]+ 383.17273 199.8
[M]- 383.17383 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.