CID 3088049

116870-91-8

Structural Information

Molecular Formula
C21H24N4O
SMILES
CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N
InChI
InChI=1S/C21H24N4O/c1-3-24(4-2)11-12-25-20(16-7-5-6-8-17(16)21(25)26)18-13-15(14-22)9-10-19(18)23/h5-10,13,20H,3-4,11-12,23H2,1-2H3
InChIKey
APTNIGNWGOHXMY-UHFFFAOYSA-N
Compound name
4-amino-3-[2-[2-(diethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

348.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 188.4
[M+Na]+ 371.18422 199.5
[M+NH4]+ 366.22882 192.2
[M+K]+ 387.15816 190.2
[M-H]- 347.18772 185.4
[M+Na-2H]- 369.16967 190.6
[M]+ 348.19445 188.2
[M]- 348.19555 188.2
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