CID 56843628

Brn 5752501

Structural Information

Molecular Formula
C20H23N
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@H]3CCCN([C@H]3C4=CC=CC=C24)C
InChI
InChI=1S/C20H23N/c1-14-9-11-15(12-10-14)19-16-6-3-4-7-17(16)20-18(19)8-5-13-21(20)2/h3-4,6-7,9-12,18-20H,5,8,13H2,1-2H3/t18-,19+,20+/m1/s1
InChIKey
PSEXRWOPAVOORM-AABGKKOBSA-N
Compound name
(4aR,5S,9bR)-1-methyl-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 167.9
[M+Na]+ 300.17226 175.2
[M-H]- 276.17576 174.5
[M+NH4]+ 295.21686 186.6
[M+K]+ 316.14620 168.8
[M+H-H2O]+ 260.18030 159.4
[M+HCOO]- 322.18124 184.8
[M+CH3COO]- 336.19689 178.9
[M+Na-2H]- 298.15771 169.6
[M]+ 277.18249 164.8
[M]- 277.18359 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.