CID 156292580

2761385-81-1

Structural Information

Molecular Formula
C19H23N3O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCOCCN
InChI
InChI=1S/C19H23N3O7/c20-5-6-27-7-8-28-9-10-29-12-1-2-13-14(11-12)19(26)22(18(13)25)15-3-4-16(23)21-17(15)24/h1-2,11,15H,3-10,20H2,(H,21,23,24)
InChIKey
XMTFEXSNGIBNRG-UHFFFAOYSA-N
Compound name
5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

405.1536 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16088 190.8
[M+Na]+ 428.14282 196.0
[M-H]- 404.14632 193.2
[M+NH4]+ 423.18742 200.0
[M+K]+ 444.11676 192.3
[M+H-H2O]+ 388.15086 181.7
[M+HCOO]- 450.15180 206.2
[M+CH3COO]- 464.16745 223.4
[M+Na-2H]- 426.12827 188.9
[M]+ 405.15305 192.5
[M]- 405.15415 192.5
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