CID 129489

107035-04-1

Structural Information

Molecular Formula
C19H21N
SMILES
CN1CCCC2C1C3=CC=CC=C3C2C4=CC=CC=C4
InChI
InChI=1S/C19H21N/c1-20-13-7-12-17-18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)19(17)20/h2-6,8-11,17-19H,7,12-13H2,1H3
InChIKey
ZFTCDHKYTKCNGS-UHFFFAOYSA-N
Compound name
1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.0
[M+Na]+ 286.15662 169.8
[M-H]- 262.16012 169.4
[M+NH4]+ 281.20122 181.9
[M+K]+ 302.13056 163.6
[M+H-H2O]+ 246.16466 154.4
[M+HCOO]- 308.16560 180.3
[M+CH3COO]- 322.18125 174.1
[M+Na-2H]- 284.14207 165.9
[M]+ 263.16685 159.1
[M]- 263.16795 159.1
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

patents stripe