CID 3056293

9-(5-(diethylamino)-2-pentylamino)-1,2,3,4-tetrahydroacridine phosphate

Structural Information

Molecular Formula
C22H33N3
SMILES
CCN(CC)CCCC(C)NC1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C22H33N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6,8,12,14,17H,4-5,7,9-11,13,15-16H2,1-3H3,(H,23,24)
InChIKey
WJYJFKUYTXDTAR-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

339.26746 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.27474 186.0
[M+Na]+ 362.25668 188.1
[M-H]- 338.26018 189.0
[M+NH4]+ 357.30128 199.9
[M+K]+ 378.23062 183.7
[M+H-H2O]+ 322.26472 176.1
[M+HCOO]- 384.26566 202.9
[M+CH3COO]- 398.28131 224.9
[M+Na-2H]- 360.24213 189.1
[M]+ 339.26691 185.2
[M]- 339.26801 185.2
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