CID 212347

Samandinine

Structural Information

Molecular Formula
C24H39NO3
SMILES
CC(C)C1C(CC2C1(CCC3C2CCC4C3(C5CNC(C4)O5)C)C)OC(=O)C
InChI
InChI=1S/C24H39NO3/c1-13(2)22-19(27-14(3)26)11-18-16-7-6-15-10-21-25-12-20(28-21)24(15,5)17(16)8-9-23(18,22)4/h13,15-22,25H,6-12H2,1-5H3
InChIKey
DHRIIIUBPCQKPA-UHFFFAOYSA-N
Compound name
(2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

389.293 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.30028 200.2
[M+Na]+ 412.28222 203.0
[M-H]- 388.28572 200.9
[M+NH4]+ 407.32682 220.0
[M+K]+ 428.25616 198.0
[M+H-H2O]+ 372.29026 194.3
[M+HCOO]- 434.29120 200.9
[M+CH3COO]- 448.30685 206.1
[M+Na-2H]- 410.26767 194.8
[M]+ 389.29245 194.4
[M]- 389.29355 194.4
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