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]+ 323.211776 178.5
[M+Na]+ 345.193718 183.9
[M-H]- 321.197224 184.8
[M+NH4]+ 340.238323 194.8
[M+K]+ 361.167658 178.5
[M+H-H2O]+ 305.201760 169.6
[M+HCOO]- 367.202701 195.2
[M+CH3COO]- 381.218351 188.2
[M+Na-2H]- 343.179166 179.4
[M]+ 322.20395142 176.0
[M]- 322.20504858 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.