CID 217474

38915-16-1

Structural Information

Molecular Formula
C21H25Cl2N3O
SMILES
COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCCN(CCCl)CCCl
InChI
InChI=1S/C21H25Cl2N3O/c1-27-19-9-4-7-17-20(16-6-2-3-8-18(16)25-21(17)19)24-12-5-13-26(14-10-22)15-11-23/h2-4,6-9H,5,10-15H2,1H3,(H,24,25)
InChIKey
NXRKBRJPSFVPMD-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(4-methoxyacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13748 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14476 195.7
[M+Na]+ 428.12670 211.5
[M+NH4]+ 423.17130 204.6
[M+K]+ 444.10064 200.1
[M-H]- 404.13020 200.7
[M+Na-2H]- 426.11215 202.9
[M]+ 405.13693 200.2
[M]- 405.13803 200.2
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.