CID 3025631

9-((4,4-diphenylbutyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Structural Information

Molecular Formula
C29H30N2O
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCCC(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C29H30N2O/c32-27-19-9-18-26-28(27)29(24-15-7-8-17-25(24)31-26)30-20-10-16-23(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-8,11-15,17,23,27,32H,9-10,16,18-20H2,(H,30,31)
InChIKey
BLNORRZQXAGKJT-UHFFFAOYSA-N
Compound name
9-(4,4-diphenylbutylamino)-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

422.2358 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.243076 203.2
[M+Na]+ 445.225018 205.7
[M-H]- 421.228524 209.6
[M+NH4]+ 440.269623 211.3
[M+K]+ 461.198958 197.2
[M+H-H2O]+ 405.233060 190.8
[M+HCOO]- 467.234001 217.1
[M+CH3COO]- 481.249651 209.3
[M+Na-2H]- 443.210466 206.6
[M]+ 422.23525142 198.6
[M]- 422.23634858 198.6
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