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

37
References

64
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 186.7
[M+Na]+ 380.21962 192.3
[M+NH4]+ 375.26422 199.5
[M+K]+ 396.19356 186.4
[M-H]- 356.22312 186.0
[M+Na-2H]- 378.20507 183.4
[M]+ 357.22985 187.4
[M]- 357.23095 187.4
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

patents stripe