CID 198539

71839-14-0

Structural Information

Molecular Formula
C19H17N
SMILES
CN1CC=C2C(=C(C3=CC=CC=C23)C4=CC=CC=C4)C1
InChI
InChI=1S/C19H17N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey
MQQMLLHBOKGEBN-UHFFFAOYSA-N
Compound name
2-methyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

259.1361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14338 160.6
[M+Na]+ 282.12532 169.6
[M-H]- 258.12882 167.8
[M+NH4]+ 277.16992 179.9
[M+K]+ 298.09926 163.0
[M+H-H2O]+ 242.13336 152.2
[M+HCOO]- 304.13430 180.8
[M+CH3COO]- 318.14995 172.9
[M+Na-2H]- 280.11077 165.6
[M]+ 259.13555 159.7
[M]- 259.13665 159.7
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.