CID 217476

Icr 443

Structural Information

Molecular Formula
C19H21Cl2N3O
SMILES
CC(CNCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)Cl
InChI
InChI=1S/C19H21Cl2N3O/c1-12(20)11-22-7-8-23-19-15-5-3-13(21)9-18(15)24-17-6-4-14(25-2)10-16(17)19/h3-6,9-10,12,22H,7-8,11H2,1-2H3,(H,23,24)
InChIKey
APYJEZWMHUVDDM-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)-N-(2-chloropropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10617 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11345 185.7
[M+Na]+ 400.09539 195.1
[M-H]- 376.09889 188.8
[M+NH4]+ 395.13999 199.8
[M+K]+ 416.06933 187.6
[M+H-H2O]+ 360.10343 178.3
[M+HCOO]- 422.10437 198.1
[M+CH3COO]- 436.12002 195.5
[M+Na-2H]- 398.08084 191.5
[M]+ 377.10562 193.1
[M]- 377.10672 193.1
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.