CID 217472

Icr 410

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCNCCCl
InChI
InChI=1S/C18H20ClN3O/c1-23-16-8-4-6-14-17(21-12-11-20-10-9-19)13-5-2-3-7-15(13)22-18(14)16/h2-8,20H,9-12H2,1H3,(H,21,22)
InChIKey
CNMPMLDRBXZNGH-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(4-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]+ 330.136776 174.4
[M+Na]+ 352.118718 183.4
[M-H]- 328.122224 178.1
[M+NH4]+ 347.163323 189.7
[M+K]+ 368.092658 176.4
[M+H-H2O]+ 312.126760 166.1
[M+HCOO]- 374.127701 193.2
[M+CH3COO]- 388.143351 185.2
[M+Na-2H]- 350.104166 183.5
[M]+ 329.12895142 180.3
[M]- 329.13004858 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.