CID 5272710

Schembl7168277

Structural Information

Molecular Formula

C₁₆H₁₅N

SMILES

CC1=CC2=CC(=CN2C(=C1)C)C3=CC=CC=C3

InChI

InChI=1S/C16H15N/c1-12-8-13(2)17-11-15(10-16(17)9-12)14-6-4-3-5-7-14/h3-11H,1-2H3

InChIKey

RQQHTNTZARHMTR-UHFFFAOYSA-N

Compound name

5,7-dimethyl-2-phenylindolizine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 221.12045 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.12773	148.9
[M+Na]+	244.10967	160.0
[M-H]-	220.11317	156.3
[M+NH4]+	239.15427	169.4
[M+K]+	260.08361	154.6
[M+H-H2O]+	204.11771	141.5
[M+HCOO]-	266.11865	173.4
[M+CH3COO]-	280.13430	163.2
[M+Na-2H]-	242.09512	155.1
[M]+	221.11990	151.4
[M]-	221.12100	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe