CID 217478

Icr 290

Structural Information

Molecular Formula
C23H28Cl2N4O2
SMILES
CCN(CCCl)CC(=O)NCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C23H28Cl2N4O2/c1-3-29(12-9-24)15-22(30)26-10-4-11-27-23-18-7-5-16(25)13-21(18)28-20-8-6-17(31-2)14-19(20)23/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,26,30)(H,27,28)
InChIKey
XVRBEKKMTQIHGZ-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl(ethyl)amino]-N-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.15894 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16622 209.4
[M+Na]+ 485.14816 216.3
[M-H]- 461.15166 213.2
[M+NH4]+ 480.19276 220.1
[M+K]+ 501.12210 209.8
[M+H-H2O]+ 445.15620 200.7
[M+HCOO]- 507.15714 222.3
[M+CH3COO]- 521.17279 244.0
[M+Na-2H]- 483.13361 213.1
[M]+ 462.15839 219.5
[M]- 462.15949 219.5
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.