CID 16102552

1-[(e)-hex-1-enyl]-2,3-diphenyl-indolizine-7-carbonitrile

Structural Information

Molecular Formula
C27H24N2
SMILES
CCCC/C=C/C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI
InChI=1S/C27H24N2/c1-2-3-4-11-16-24-25-19-21(20-28)17-18-29(25)27(23-14-9-6-10-15-23)26(24)22-12-7-5-8-13-22/h5-19H,2-4H2,1H3/b16-11+
InChIKey
GSBGLSLUQBWZGL-LFIBNONCSA-N
Compound name
1-[(E)-hex-1-enyl]-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.19394 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20122 202.0
[M+Na]+ 399.18316 213.3
[M-H]- 375.18666 208.3
[M+NH4]+ 394.22776 213.5
[M+K]+ 415.15710 200.4
[M+H-H2O]+ 359.19120 185.0
[M+HCOO]- 421.19214 219.7
[M+CH3COO]- 435.20779 210.0
[M+Na-2H]- 397.16861 202.0
[M]+ 376.19339 198.7
[M]- 376.19449 198.7
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.