CID 21490

Nsc 2461

Structural Information

Molecular Formula
C20H28ClN3
SMILES
CCN(CC)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H28ClN3/c1-3-24(4-2)13-7-12-22-20-16-8-5-6-9-18(16)23-19-11-10-15(21)14-17(19)20/h10-11,14H,3-9,12-13H2,1-2H3,(H,22,23)
InChIKey
FLVWGDXSNRVCLL-UHFFFAOYSA-N
Compound name
N-(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.19717 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20445 184.4
[M+Na]+ 368.18639 189.6
[M-H]- 344.18989 187.9
[M+NH4]+ 363.23099 199.4
[M+K]+ 384.16033 183.4
[M+H-H2O]+ 328.19443 175.6
[M+HCOO]- 390.19537 198.4
[M+CH3COO]- 404.21102 222.8
[M+Na-2H]- 366.17184 188.4
[M]+ 345.19662 186.3
[M]- 345.19772 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.