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 256.1
[M+Na]+ 675.41912 259.8
[M+NH4]+ 670.46372 254.6
[M+K]+ 691.39306 258.0
[M-H]- 651.42262 260.0
[M+Na-2H]- 673.40457 251.6
[M]+ 652.42935 256.7
[M]- 652.43045 256.7
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.