CID 148274

Icr 217

Structural Information

Molecular Formula
C20H24ClN3
SMILES
CCN(CCCNC1=C2C=CC=CC2=NC3=CC=CC=C31)CCCl
InChI
InChI=1S/C20H24ClN3/c1-2-24(15-12-21)14-7-13-22-20-16-8-3-5-10-18(16)23-19-11-6-4-9-17(19)20/h3-6,8-11H,2,7,12-15H2,1H3,(H,22,23)
InChIKey
UDBSUOGNMVWNPL-UHFFFAOYSA-N
Compound name
N-acridin-9-yl-N'-(2-chloroethyl)-N'-ethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16586 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17314 181.1
[M+Na]+ 364.15508 188.4
[M-H]- 340.15858 185.4
[M+NH4]+ 359.19968 196.2
[M+K]+ 380.12902 181.6
[M+H-H2O]+ 324.16312 172.0
[M+HCOO]- 386.16406 199.4
[M+CH3COO]- 400.17971 191.3
[M+Na-2H]- 362.14053 188.9
[M]+ 341.16531 187.0
[M]- 341.16641 187.0
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.