CID 5275737

(cyclohexylideneamino)oxymethyl-formyl-isopropyl-methyl-[?]carboxylic acid

Structural Information

Molecular Formula
C26H37NO4
SMILES
C[C@@H]1CC[C@@H]2[C@@H]1CC3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CON=C5CCCCC5
InChI
InChI=1S/C26H37NO4/c1-16(2)22-11-18-12-24(14-28)21-10-9-17(3)20(21)13-25(18,26(22,24)23(29)30)15-31-27-19-7-5-4-6-8-19/h11,14,16-18,20-21H,4-10,12-13,15H2,1-3H3,(H,29,30)/t17-,18+,20-,21-,24+,25?,26+/m1/s1
InChIKey
LPFKXVDHQZIGLS-FXIWKTSASA-N
Compound name
(1R,4R,5R,8R,9S,11R)-2-[(cyclohexylideneamino)oxymethyl]-9-formyl-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

427.27225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.27953 205.7
[M+Na]+ 450.26147 208.5
[M-H]- 426.26497 211.6
[M+NH4]+ 445.30607 228.7
[M+K]+ 466.23541 203.0
[M+H-H2O]+ 410.26951 201.0
[M+HCOO]- 472.27045 216.0
[M+CH3COO]- 486.28610 231.4
[M+Na-2H]- 448.24692 200.9
[M]+ 427.27170 203.3
[M]- 427.27280 203.3
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.