CID 68913

Retelliptine

Structural Information

Molecular Formula
C25H32N4O
SMILES
CCN(CC)CCCNC1=NC=CC2=C(C3=C(C(=C21)C)C4=C(N3)C=CC(=C4)OC)C
InChI
InChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30-5)9-10-21(20)28-24(22)16(3)19(23)11-13-27-25/h9-11,13,15,28H,6-8,12,14H2,1-5H3,(H,26,27)
InChIKey
PAVKBQLPQCDVNI-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10218
Patents

404.2576 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 203.8
[M+Na]+ 427.24682 218.5
[M+NH4]+ 422.29142 211.5
[M+K]+ 443.22076 210.5
[M-H]- 403.25032 208.2
[M+Na-2H]- 425.23227 208.4
[M]+ 404.25705 207.3
[M]- 404.25815 207.3
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

patents stripe