CID 3088067

3-(2-amino-5-cyanophenyl)-2-((1-ethylpyrrolidin-2-yl)methyl)isoindolin-1-one fumarate hydrate

Structural Information

Molecular Formula
C22H24N4O
SMILES
CCN1CCCC1CN2C(C3=CC=CC=C3C2=O)C4=C(C=CC(=C4)C#N)N
InChI
InChI=1S/C22H24N4O/c1-2-25-11-5-6-16(25)14-26-21(17-7-3-4-8-18(17)22(26)27)19-12-15(13-23)9-10-20(19)24/h3-4,7-10,12,16,21H,2,5-6,11,14,24H2,1H3
InChIKey
GHCMHSVSUWHUDC-UHFFFAOYSA-N
Compound name
4-amino-3-[2-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-1H-isoindol-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 190.7
[M+Na]+ 383.18422 202.0
[M+NH4]+ 378.22882 194.6
[M+K]+ 399.15816 194.3
[M-H]- 359.18772 188.0
[M+Na-2H]- 381.16967 192.7
[M]+ 360.19445 190.6
[M]- 360.19555 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.