CID 55862

Brn 5763756

Structural Information

Molecular Formula
C21H26N2O
SMILES
CN(C)C1=CC=C(C=C1)[C@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)OC
InChI
InChI=1S/C21H26N2O/c1-23(2)15-8-6-14(7-9-15)20-18-5-4-12-22-21(18)17-11-10-16(24-3)13-19(17)20/h6-11,13,18,20-22H,4-5,12H2,1-3H3/t18-,20-,21+/m0/s1
InChIKey
JVUDMSRLJGZBNB-SESVDKBCSA-N
Compound name
4-[(4aS,5R,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.2
[M+Na]+ 345.19372 192.0
[M+NH4]+ 340.23832 188.8
[M+K]+ 361.16766 185.3
[M-H]- 321.19722 184.9
[M+Na-2H]- 343.17917 184.8
[M]+ 322.20395 182.6
[M]- 322.20505 182.6
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.