CID 492479

Formyl-isopropyl-[(e)-2-(2-methoxyethoxy)ethoxyiminomethyl]-methyl-[?]carboxylic acid

Structural Information

Molecular Formula
C25H37NO6
SMILES
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C=NOCCOCCOC
InChI
InChI=1S/C25H37NO6/c1-16(2)21-11-18-12-24(15-27)20-6-5-17(3)19(20)13-23(18,25(21,24)22(28)29)14-26-32-10-9-31-8-7-30-4/h11,14-20H,5-10,12-13H2,1-4H3,(H,28,29)/t17-,18+,19-,20-,23+,24+,25-/m1/s1
InChIKey
UJFHOMVWUHCENF-JRTJEVDDSA-N
Compound name
(1R,2S,4R,5R,8R,9S,11R)-9-formyl-2-[2-(2-methoxyethoxy)ethoxyiminomethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.2621 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.26938 207.2
[M+Na]+ 470.25132 211.4
[M-H]- 446.25482 210.5
[M+NH4]+ 465.29592 229.9
[M+K]+ 486.22526 207.6
[M+H-H2O]+ 430.25936 204.3
[M+HCOO]- 492.26030 221.0
[M+CH3COO]- 506.27595 235.2
[M+Na-2H]- 468.23677 205.7
[M]+ 447.26155 214.1
[M]- 447.26265 214.1
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.