CID 3046075

61520-38-5

Structural Information

Molecular Formula
C30H43NO4
SMILES
CCCC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OCCCC)O4)C)OC)O
InChI
InChI=1S/C30H43NO4/c1-6-8-12-27(3,32)22-19-28-13-14-30(22,33-5)26-29(28)15-16-31(4)23(28)18-20-10-11-21(34-17-9-7-2)25(35-26)24(20)29/h10-11,13-14,22-23,26,32H,6-9,12,15-19H2,1-5H3/t22-,23-,26-,27-,28?,29+,30+/m1/s1
InChIKey
HVSNCBOIQJFYLB-WMEGDYLPSA-N
Compound name
(2R)-2-[(2S,6R,14R,15S,16R)-11-butoxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.3192 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.32648 217.8
[M+Na]+ 504.30842 218.9
[M-H]- 480.31192 214.9
[M+NH4]+ 499.35302 235.4
[M+K]+ 520.28236 214.1
[M+H-H2O]+ 464.31646 205.0
[M+HCOO]- 526.31740 214.1
[M+CH3COO]- 540.33305 221.0
[M+Na-2H]- 502.29387 222.3
[M]+ 481.31865 223.8
[M]- 481.31975 223.8
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.