CID 12069888

Chembl378006

Structural Information

Molecular Formula
C29H32N4
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCNC4=C5CCCCC5=NC6=CC=CC=C64
InChI
InChI=1S/C29H32N4/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)32-24)30-18-9-19-31-29-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)29/h1,3,5,7,10,12,14,16H,2,4,6,8-9,11,13,15,17-19H2,(H,30,32)(H,31,33)
InChIKey
BHOCVLCAWPPEOV-UHFFFAOYSA-N
Compound name
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

436.2627 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26998 211.3
[M+Na]+ 459.25192 227.6
[M+NH4]+ 454.29652 221.4
[M+K]+ 475.22586 214.7
[M-H]- 435.25542 219.9
[M+Na-2H]- 457.23737 218.8
[M]+ 436.26215 216.3
[M]- 436.26325 216.3
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