CID 16102546

1-(1-hydroxydecyl)-2,3-diphenyl-indolizine-7-carbonitrile

Structural Information

Molecular Formula
C31H34N2O
SMILES
CCCCCCCCCC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C31H34N2O/c1-2-3-4-5-6-7-14-19-28(34)30-27-22-24(23-32)20-21-33(27)31(26-17-12-9-13-18-26)29(30)25-15-10-8-11-16-25/h8-13,15-18,20-22,28,34H,2-7,14,19H2,1H3
InChIKey
CTJMCDUSZVWDQL-UHFFFAOYSA-N
Compound name
1-(1-hydroxydecyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.26712 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27440 220.8
[M+Na]+ 473.25634 229.0
[M-H]- 449.25984 225.2
[M+NH4]+ 468.30094 228.7
[M+K]+ 489.23028 216.7
[M+H-H2O]+ 433.26438 203.4
[M+HCOO]- 495.26532 235.0
[M+CH3COO]- 509.28097 226.3
[M+Na-2H]- 471.24179 217.7
[M]+ 450.26657 218.4
[M]- 450.26767 218.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.