CID 6448335

86132-12-9

Structural Information

Molecular Formula
C35H60N2O9
SMILES
CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CC=O)C)\C)CN(CC)CCO
InChI
InChI=1S/C35H60N2O9/c1-9-31-27(21-37(10-2)14-16-39)17-22(3)11-12-29(40)23(4)18-26(13-15-38)34(25(6)30(41)20-32(42)45-31)46-35-33(43)28(36(7)8)19-24(5)44-35/h11-12,15,17,23-28,30-31,33-35,39,41,43H,9-10,13-14,16,18-21H2,1-8H3/b12-11-,22-17+
InChIKey
BVHDXAXRJVQDOF-RUKBIXMLSA-N
Compound name
2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.4299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.43718 263.0
[M+Na]+ 675.41912 262.3
[M-H]- 651.42262 267.1
[M+NH4]+ 670.46372 257.5
[M+K]+ 691.39306 264.1
[M+H-H2O]+ 635.42716 258.3
[M+HCOO]- 697.42810 268.5
[M+CH3COO]- 711.44375 278.1
[M+Na-2H]- 673.40457 249.1
[M]+ 652.42935 263.4
[M]- 652.43045 263.4
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.