CID 13288063

24-allenyl-cholesterol

Structural Information

Molecular Formula
C29H46O
SMILES
C[C@H](CCC(=C=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27,30H,1,8-9,11-18H2,2-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
FNCTWJAIYWHSQR-VEVYEIKRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.35486 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.36214 211.1
[M+Na]+ 433.34408 211.6
[M-H]- 409.34758 212.1
[M+NH4]+ 428.38868 229.4
[M+K]+ 449.31802 204.1
[M+H-H2O]+ 393.35212 204.6
[M+HCOO]- 455.35306 214.0
[M+CH3COO]- 469.36871 230.0
[M+Na-2H]- 431.32953 203.0
[M]+ 410.35431 202.5
[M]- 410.35541 202.5
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

patents stripe