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 178.5
[M+Na]+ 345.19372 183.9
[M-H]- 321.19722 184.8
[M+NH4]+ 340.23832 194.8
[M+K]+ 361.16766 178.5
[M+H-H2O]+ 305.20176 169.6
[M+HCOO]- 367.20270 195.2
[M+CH3COO]- 381.21835 188.2
[M+Na-2H]- 343.17917 179.4
[M]+ 322.20395 176.0
[M]- 322.20505 176.0
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.