CID 38147

38915-23-0

Structural Information

Molecular Formula
C22H27Cl2N3O2
SMILES
CCN(CCOCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl
InChI
InChI=1S/C22H27Cl2N3O2/c1-3-27(10-8-23)11-13-29-12-9-25-22-18-6-4-16(24)14-21(18)26-20-7-5-17(28-2)15-19(20)22/h4-7,14-15H,3,8-13H2,1-2H3,(H,25,26)
InChIKey
HPIGUPSONXUOFR-UHFFFAOYSA-N
Compound name
6-chloro-N-[2-[2-[2-chloroethyl(ethyl)amino]ethoxy]ethyl]-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.14804 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.15532 202.4
[M+Na]+ 458.13726 210.6
[M-H]- 434.14076 206.2
[M+NH4]+ 453.18186 214.6
[M+K]+ 474.11120 204.0
[M+H-H2O]+ 418.14530 193.6
[M+HCOO]- 480.14624 215.3
[M+CH3COO]- 494.16189 236.6
[M+Na-2H]- 456.12271 206.9
[M]+ 435.14749 213.9
[M]- 435.14859 213.9
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.