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 174.4
[M+Na]+ 352.11872 183.4
[M-H]- 328.12222 178.1
[M+NH4]+ 347.16332 189.7
[M+K]+ 368.09266 176.4
[M+H-H2O]+ 312.12676 166.1
[M+HCOO]- 374.12770 193.2
[M+CH3COO]- 388.14335 185.2
[M+Na-2H]- 350.10417 183.5
[M]+ 329.12895 180.3
[M]- 329.13005 180.3
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.