CID 22023

5782-95-6

Structural Information

Molecular Formula
C23H26N2O2
SMILES
COC1=C(C=C(C=C1)CCNC2=C3CCCCC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C23H26N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,24,25)
InChIKey
CWOSTJOZRVRLJV-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.19943 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 187.9
[M+Na]+ 385.188648 193.5
[M-H]- 361.192154 193.8
[M+NH4]+ 380.233253 200.5
[M+K]+ 401.162588 187.7
[M+H-H2O]+ 345.196690 177.0
[M+HCOO]- 407.197631 205.5
[M+CH3COO]- 421.213281 196.9
[M+Na-2H]- 383.174096 192.9
[M]+ 362.19888142 188.4
[M]- 362.19997858 188.4
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.