CID 16102544

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

Structural Information

Molecular Formula
C27H26N2O
SMILES
CCCCCC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C27H26N2O/c1-2-3-6-15-24(30)26-23-18-20(19-28)16-17-29(23)27(22-13-9-5-10-14-22)25(26)21-11-7-4-8-12-21/h4-5,7-14,16-18,24,30H,2-3,6,15H2,1H3
InChIKey
LYYJZNOGEMAONW-UHFFFAOYSA-N
Compound name
1-(1-hydroxyhexyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.2045 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21178 205.6
[M+Na]+ 417.19372 215.5
[M-H]- 393.19722 210.8
[M+NH4]+ 412.23832 215.6
[M+K]+ 433.16766 203.9
[M+H-H2O]+ 377.20176 189.0
[M+HCOO]- 439.20270 221.1
[M+CH3COO]- 453.21835 212.7
[M+Na-2H]- 415.17917 204.4
[M]+ 394.20395 202.1
[M]- 394.20505 202.1
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.