CID 10248013

Fr-180102

Structural Information

Molecular Formula
C18H14Cl2N2O2
SMILES
CC(=O)NC1=C(C(=C(C=C1)Cl)COC2=CC=CC3=C2C=CN=C3)Cl
InChI
InChI=1S/C18H14Cl2N2O2/c1-11(23)22-16-6-5-15(19)14(18(16)20)10-24-17-4-2-3-12-9-21-8-7-13(12)17/h2-9H,10H2,1H3,(H,22,23)
InChIKey
YXVRCTRMIKAODR-UHFFFAOYSA-N
Compound name
N-[2,4-dichloro-3-(isoquinolin-5-yloxymethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.04324 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05052 180.3
[M+Na]+ 383.03246 197.5
[M+NH4]+ 378.07706 189.1
[M+K]+ 399.00640 187.7
[M-H]- 359.03596 185.5
[M+Na-2H]- 381.01791 189.2
[M]+ 360.04269 185.1
[M]- 360.04379 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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