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]+ 537.24968 238.4
[M+Na]+ 559.23162 244.0
[M-H]- 535.23512 239.8
[M+NH4]+ 554.27622 242.9
[M+K]+ 575.20556 240.7
[M+H-H2O]+ 519.23966 229.9
[M+HCOO]- 581.24060 238.0
[M+CH3COO]- 595.25625 237.2
[M+Na-2H]- 557.21707 229.6
[M]+ 536.24185 242.0
[M]- 536.24295 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.