CID 3088056

3-(2-amino-5-cyanophenyl)-2-(2-ethylaminoethyl)isoindolin-1-one dihydrochloride

Structural Information

Molecular Formula
C19H20N4O
SMILES
CCNCCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N
InChI
InChI=1S/C19H20N4O/c1-2-22-9-10-23-18(14-5-3-4-6-15(14)19(23)24)16-11-13(12-20)7-8-17(16)21/h3-8,11,18,22H,2,9-10,21H2,1H3
InChIKey
HVDFIJUXKGKVPB-UHFFFAOYSA-N
Compound name
4-amino-3-[2-[2-(ethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.1637 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 181.0
[M+Na]+ 343.15292 192.3
[M+NH4]+ 338.19752 184.9
[M+K]+ 359.12686 183.0
[M-H]- 319.15642 177.8
[M+Na-2H]- 341.13837 183.4
[M]+ 320.16315 180.8
[M]- 320.16425 180.8
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

patents stripe