CID 156169

Crotananine

Structural Information

Molecular Formula
C17H25NO5
SMILES
CC1C(C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1C)O)C
InChI
InChI=1S/C17H25NO5/c1-9-10(2)15(19)17(21)22-8-12-4-6-18-7-5-13(14(12)18)23-16(20)11(9)3/h4,9-11,13-15,19H,5-8H2,1-3H3/t9?,10?,11?,13-,14-,15?/m1/s1
InChIKey
GFXWTYYPYYHXDK-GLDVEYQJSA-N
Compound name
(1R,17R)-7-hydroxy-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.180556 172.0
[M+Na]+ 346.162498 179.3
[M-H]- 322.166004 173.8
[M+NH4]+ 341.207103 185.6
[M+K]+ 362.136438 179.0
[M+H-H2O]+ 306.170540 171.9
[M+HCOO]- 368.171481 183.1
[M+CH3COO]- 382.187131 203.7
[M+Na-2H]- 344.147946 168.8
[M]+ 323.17273142 170.2
[M]- 323.17382858 170.2
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.