CID 3046088

61520-51-2

Structural Information

Molecular Formula
C26H35NO3
SMILES
CCCC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=CC=C6)O4)C)OC)O
InChI
InChI=1S/C26H35NO3/c1-5-6-10-23(2,28)19-16-24-11-12-26(19,29-4)22-25(24)13-14-27(3)20(24)15-17-8-7-9-18(30-22)21(17)25/h7-9,11-12,19-20,22,28H,5-6,10,13-16H2,1-4H3/t19-,20-,22-,23-,24?,25+,26+/m1/s1
InChIKey
DNPHMTXZWVMBGB-ZYPYAABLSA-N
Compound name
(2R)-2-[(2S,6R,14R,15S,16R)-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

409.2617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.26898 197.7
[M+Na]+ 432.25092 200.3
[M-H]- 408.25442 195.7
[M+NH4]+ 427.29552 218.2
[M+K]+ 448.22486 195.2
[M+H-H2O]+ 392.25896 185.2
[M+HCOO]- 454.25990 195.6
[M+CH3COO]- 468.27555 202.7
[M+Na-2H]- 430.23637 204.2
[M]+ 409.26115 201.0
[M]- 409.26225 201.0
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.