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

0
Patents

274.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 169.8
[M+Na]+ 297.19372 174.8
[M-H]- 273.19722 172.1
[M+NH4]+ 292.23832 185.5
[M+K]+ 313.16766 169.3
[M+H-H2O]+ 257.20176 161.4
[M+HCOO]- 319.20270 182.7
[M+CH3COO]- 333.21835 198.9
[M+Na-2H]- 295.17917 168.0
[M]+ 274.20395 163.7
[M]- 274.20505 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