CID 31509

Cyanidin 3-(diferuloylsophoroside) 5-glucoside

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC1=C(NC2=C1C(=O)C(CC2)CN3CCCCC3)C
InChI
InChI=1S/C17H26N2O/c1-3-14-12(2)18-15-8-7-13(17(20)16(14)15)11-19-9-5-4-6-10-19/h13,18H,3-11H2,1-2H3
InChIKey
XVOGXJDOZKYLGW-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-5-(piperidin-1-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

274.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 169.8
[M+Na]+ 297.193718 174.8
[M-H]- 273.197224 172.1
[M+NH4]+ 292.238323 185.5
[M+K]+ 313.167658 169.3
[M+H-H2O]+ 257.201760 161.4
[M+HCOO]- 319.202701 182.7
[M+CH3COO]- 333.218351 198.9
[M+Na-2H]- 295.179166 168.0
[M]+ 274.20395142 163.7
[M]- 274.20504858 163.7
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