CID 9575034

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

Structural Information

Molecular Formula
C23H27NO5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2/C(=N\OC)/[C@@H]([C@H](O4)C)C
InChI
InChI=1S/C23H27NO5/c1-7-8-14-11-16(25)28-22-17(14)21-15(9-10-23(4,5)29-21)20-18(22)19(24-26-6)12(2)13(3)27-20/h9-13H,7-8H2,1-6H3/b24-19-/t12-,13-/m1/s1
InChIKey
VJPHYRFGMMDQTB-XUEWMWBDSA-N
Compound name
(16R,17S,18Z)-18-methoxyimino-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

397.18893 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 197.4
[M+Na]+ 420.17815 207.9
[M-H]- 396.18165 207.2
[M+NH4]+ 415.22275 210.9
[M+K]+ 436.15209 207.7
[M+H-H2O]+ 380.18619 188.2
[M+HCOO]- 442.18713 212.3
[M+CH3COO]- 456.20278 233.7
[M+Na-2H]- 418.16360 202.5
[M]+ 397.18838 205.8
[M]- 397.18948 205.8
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.