CID 71456946

Songorine

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]56[C@H]4CC(=O)[C@H](C5)C(=C)[C@H]6O)O)C
InChI
InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1
InChIKey
CBOSLVQFGANWTL-DVPYZRQCSA-N
Compound name
(1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

67
Patents

357.2304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 186.4
[M+Na]+ 380.21962 193.1
[M-H]- 356.22312 187.7
[M+NH4]+ 375.26422 212.6
[M+K]+ 396.19356 184.6
[M+H-H2O]+ 340.22766 181.3
[M+HCOO]- 402.22860 190.1
[M+CH3COO]- 416.24425 194.2
[M+Na-2H]- 378.20507 182.4
[M]+ 357.22985 182.1
[M]- 357.23095 182.1
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.