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]+ 353.18596 185.4
[M+Na]+ 375.16790 192.2
[M-H]- 351.17140 192.8
[M+NH4]+ 370.21250 200.2
[M+K]+ 391.14184 188.2
[M+H-H2O]+ 335.17594 176.2
[M+HCOO]- 397.17688 207.6
[M+CH3COO]- 411.19253 220.8
[M+Na-2H]- 373.15335 186.1
[M]+ 352.17813 190.4
[M]- 352.17923 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.