CID 217466

Icr 411

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCNCCCl
InChI
InChI=1S/C18H20ClN3O/c1-23-13-6-7-17-15(12-13)18(21-11-10-20-9-8-19)14-4-2-3-5-16(14)22-17/h2-7,12,20H,8-11H2,1H3,(H,21,22)
InChIKey
PNTQCOUQTLRQQW-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 176.0
[M+Na]+ 352.11872 191.9
[M+NH4]+ 347.16332 185.3
[M+K]+ 368.09266 181.3
[M-H]- 328.12222 181.1
[M+Na-2H]- 350.10417 184.1
[M]+ 329.12895 180.2
[M]- 329.13005 180.2
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.