CID 494803

Ussuriedine

Structural Information

Molecular Formula
C27H37NO3
SMILES
CC1C2CCC3CC(N2C3)(C4=C1C=CC5=C4CC6C5CC(C7C6(CCC(C7)O)C)O)O
InChI
InChI=1S/C27H37NO3/c1-14-17-4-5-18-19-11-24(30)22-9-16(29)7-8-26(22,2)21(19)10-20(18)25(17)27(31)12-15-3-6-23(14)28(27)13-15/h4-5,14-16,19,21-24,29-31H,3,6-13H2,1-2H3
InChIKey
GJGOGOYXQXVPNO-UHFFFAOYSA-N
Compound name
6,19-dimethyl-25-azaheptacyclo[21.2.1.02,18.03,15.05,14.06,11.020,25]hexacosa-2(18),3(15),16-triene-1,9,12-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.27734 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.28462 202.8
[M+Na]+ 446.26656 207.0
[M-H]- 422.27006 201.9
[M+NH4]+ 441.31116 222.9
[M+K]+ 462.24050 197.6
[M+H-H2O]+ 406.27460 194.2
[M+HCOO]- 468.27554 199.8
[M+CH3COO]- 482.29119 207.3
[M+Na-2H]- 444.25201 198.6
[M]+ 423.27679 194.9
[M]- 423.27789 194.9
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.