CID 43619

61356-12-5

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CCN(CC)CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)CCCC3
InChI
InChI=1S/C21H26N2O4/c1-3-22(4-2)12-13-27-21(26)15-8-7-9-16(14-15)23-19(24)17-10-5-6-11-18(17)20(23)25/h7-9,14H,3-6,10-13H2,1-2H3
InChIKey
FTNARSWCCVIAAL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 189.1
[M+Na]+ 393.17849 198.7
[M+NH4]+ 388.22309 195.0
[M+K]+ 409.15243 194.5
[M-H]- 369.18199 191.5
[M+Na-2H]- 391.16394 192.1
[M]+ 370.18872 190.7
[M]- 370.18982 190.7
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.