CID 172429298

Okaramine e

Structural Information

Molecular Formula
C32H32N4O4
SMILES
CC1(/C=C\N2/C(=C\C3=C1NC4=CC=CC=C43)/C(=O)N5[C@H](C2=O)C[C@]6([C@@]57C(C(N7C8=CC=CC=C86)(C)C)CO)O)C
InChI
InChI=1S/C32H32N4O4/c1-29(2)13-14-34-23(15-19-18-9-5-7-11-21(18)33-26(19)29)28(39)35-24(27(34)38)16-31(40)20-10-6-8-12-22(20)36-30(3,4)25(17-37)32(31,35)36/h5-15,24-25,33,37,40H,16-17H2,1-4H3/b14-13-,23-15-/t24-,25?,31-,32-/m0/s1
InChIKey
WIGFDUMLKCCHPE-CENMKYFDSA-N
Compound name
(1Z,4R,14S,16S,19Z)-14-hydroxy-5-(hydroxymethyl)-6,6,21,21-tetramethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.2424 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.249676 238.4
[M+Na]+ 559.231618 244.0
[M-H]- 535.235124 239.8
[M+NH4]+ 554.276223 242.9
[M+K]+ 575.205558 240.7
[M+H-H2O]+ 519.239660 229.9
[M+HCOO]- 581.240601 238.0
[M+CH3COO]- 595.256251 237.2
[M+Na-2H]- 557.217066 229.6
[M]+ 536.24185142 242.0
[M]- 536.24294858 242.0
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.