CID 167110

14521-98-3

Structural Information

Molecular Formula
C30H35NO4
SMILES
C[C@@](CCC1=CC=CC=C1)([C@H]2C[C@@]34C=C[C@@]2([C@H]5[C@@]36CCN([C@@H]4CC7=C6C(=C(C=C7)O)O5)C)OC)O
InChI
InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1
InChIKey
ALOSAFNTVICCGI-XELDOGJXSA-N
Compound name
(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-4-phenylbutan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

473.25662 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.26390 212.8
[M+Na]+ 496.24584 223.8
[M+NH4]+ 491.29044 226.5
[M+K]+ 512.21978 211.9
[M-H]- 472.24934 215.3
[M+Na-2H]- 494.23129 212.6
[M]+ 473.25607 215.8
[M]- 473.25717 215.8
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.