CID 3025268

M & b 3430

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CN(C)C1=CC=C(C=C1)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H24N2O3/c1-22(2)16-10-12-17(13-11-16)26-15-7-3-6-14-23-20(24)18-8-4-5-9-19(18)21(23)25/h4-5,8-13H,3,6-7,14-15H2,1-2H3
InChIKey
ITCKMEUMRHEITF-UHFFFAOYSA-N
Compound name
2-[5-[4-(dimethylamino)phenoxy]pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 185.4
[M+Na]+ 375.167898 192.2
[M-H]- 351.171404 192.8
[M+NH4]+ 370.212503 200.2
[M+K]+ 391.141838 188.2
[M+H-H2O]+ 335.175940 176.2
[M+HCOO]- 397.176881 207.6
[M+CH3COO]- 411.192531 220.8
[M+Na-2H]- 373.153346 186.1
[M]+ 352.17813142 190.4
[M]- 352.17922858 190.4
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.