CID 21763506

Olesoxime

Structural Information

Molecular Formula
C27H45NO
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\O)/CC[C@]34C)C
InChI
InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QNTASHOAVRSLMD-FCARAQADSA-N
Compound name
(NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

47
References

1357
Patents

399.35013 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.35741 205.7
[M+Na]+ 422.33935 206.6
[M-H]- 398.34285 208.2
[M+NH4]+ 417.38395 224.9
[M+K]+ 438.31329 200.4
[M+H-H2O]+ 382.34739 198.4
[M+HCOO]- 444.34833 212.7
[M+CH3COO]- 458.36398 231.3
[M+Na-2H]- 420.32480 200.9
[M]+ 399.34958 198.9
[M]- 399.35068 198.9
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.