CID 6446576

Lendelofidinium, 4,4'-(1,10-decamethylene)bis-, dibromide dicrotonate

Structural Information

Molecular Formula
C34H58N2O4
SMILES
C/C=C/C(=O)OC[C@H]1[C@@H]2[N+](CC1)(CCC2)CCCCCCCCCC[N+]34[C@@H]([C@@H](CC3)COC(=O)/C=C/C)CCC4
InChI
InChI=1S/C34H58N2O4/c1-3-15-33(37)39-27-29-19-25-35(23-13-17-31(29)35)21-11-9-7-5-6-8-10-12-22-36-24-14-18-32(36)30(20-26-36)28-40-34(38)16-4-2/h3-4,15-16,29-32H,5-14,17-28H2,1-2H3/q+2/b15-3+,16-4+/t29-,30-,31+,32+,35?,36?/m0/s1
InChIKey
UQZDICLBQRCBDC-GVJIEHPKSA-N
Compound name
[(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-but-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.43964 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.44692 243.8
[M+Na]+ 581.42886 248.0
[M+NH4]+ 576.47346 251.9
[M+K]+ 597.40280 245.0
[M-H]- 557.43236 245.3
[M+Na-2H]- 579.41431 242.2
[M]+ 558.43909 245.0
[M]- 558.44019 245.0
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.