CID 6445133

Dehydrolasiocarpine

Structural Information

Molecular Formula
C21H31NO7
SMILES
C/C=C(\C)/C(=O)O[C@H]1CCN2C1=C(C=C2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O
InChI
InChI=1S/C21H31NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,10,14,16,25-26H,9,11-12H2,1-6H3/b13-7+/t14-,16-,21-/m0/s1
InChIKey
IAXLVILDXLCQDO-IYEGRXQXSA-N
Compound name
[(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.21005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21733 199.0
[M+Na]+ 432.19927 201.5
[M-H]- 408.20277 199.0
[M+NH4]+ 427.24387 211.3
[M+K]+ 448.17321 201.3
[M+H-H2O]+ 392.20731 194.7
[M+HCOO]- 454.20825 209.8
[M+CH3COO]- 468.22390 219.5
[M+Na-2H]- 430.18472 195.7
[M]+ 409.20950 203.8
[M]- 409.21060 203.8
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.