CID 3088031

3-(2-aminophenyl)-2-(2-dimethylaminopropyl)isoindolin-1-one dihydrochloride dihydrate

Structural Information

Molecular Formula
C19H23N3O
SMILES
CN(C)CCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N
InChI
InChI=1S/C19H23N3O/c1-21(2)12-7-13-22-18(16-10-5-6-11-17(16)20)14-8-3-4-9-15(14)19(22)23/h3-6,8-11,18H,7,12-13,20H2,1-2H3
InChIKey
GTFGPMJJRWJKAD-UHFFFAOYSA-N
Compound name
3-(2-aminophenyl)-2-[3-(dimethylamino)propyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.6
[M+Na]+ 332.17332 187.7
[M+NH4]+ 327.21792 183.7
[M+K]+ 348.14726 181.8
[M-H]- 308.17682 180.8
[M+Na-2H]- 330.15877 181.8
[M]+ 309.18355 178.7
[M]- 309.18465 178.7
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.