CID 3035793

76166-55-7

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=N[C@@H]3CCN(C[C@@H]3C4=CC(=C(C=C42)OC)OC)C
InChI
InChI=1S/C23H27N3O3/c1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23/h5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27)/t19-,20-/m1/s1
InChIKey
DCDXHGMCXGHXBM-WOJBJXKFSA-N
Compound name
N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

11
Patents

393.20523 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 197.4
[M+Na]+ 416.19445 211.3
[M+NH4]+ 411.23905 204.6
[M+K]+ 432.16839 203.3
[M-H]- 392.19795 202.0
[M+Na-2H]- 414.17990 202.4
[M]+ 393.20468 200.7
[M]- 393.20578 200.7
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

patents stripe