CID 3088035

3-(2-aminophenyl)-2-(2-isopropylaminoethyl)isoindolin-1-one monofumarate

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC(C)NCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N
InChI
InChI=1S/C19H23N3O/c1-13(2)21-11-12-22-18(16-9-5-6-10-17(16)20)14-7-3-4-8-15(14)19(22)23/h3-10,13,18,21H,11-12,20H2,1-2H3
InChIKey
BNCKFCQXEPCISM-UHFFFAOYSA-N
Compound name
3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

309.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.1
[M+Na]+ 332.17332 181.6
[M-H]- 308.17682 181.0
[M+NH4]+ 327.21792 190.7
[M+K]+ 348.14726 176.2
[M+H-H2O]+ 292.18136 166.6
[M+HCOO]- 354.18230 196.4
[M+CH3COO]- 368.19795 213.6
[M+Na-2H]- 330.15877 176.0
[M]+ 309.18355 173.9
[M]- 309.18465 173.9
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