CID 5275730

Methyl (1s,4ar)-9-hydroxyimino-6-methoxy-1,4a-dimethyl-3,4-dihydro-2h-phenanthrene-1-carboxylate

Structural Information

Molecular Formula
C19H23NO4
SMILES
C[C@]12CCC[C@](C1=CC(=NO)C3=C2C=C(C=C3)OC)(C)C(=O)OC
InChI
InChI=1S/C19H23NO4/c1-18-8-5-9-19(2,17(21)24-4)16(18)11-15(20-22)13-7-6-12(23-3)10-14(13)18/h6-7,10-11,22H,5,8-9H2,1-4H3/t18-,19+/m1/s1
InChIKey
XNTZTUZAOUDVDK-MOPGFXCFSA-N
Compound name
methyl (1S,4aR)-9-hydroxyimino-6-methoxy-1,4a-dimethyl-3,4-dihydro-2H-phenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 175.1
[M+Na]+ 352.15194 182.8
[M-H]- 328.15544 180.2
[M+NH4]+ 347.19654 195.1
[M+K]+ 368.12588 180.0
[M+H-H2O]+ 312.15998 168.4
[M+HCOO]- 374.16092 192.5
[M+CH3COO]- 388.17657 212.8
[M+Na-2H]- 350.13739 180.6
[M]+ 329.16217 176.9
[M]- 329.16327 176.9
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.