CID 134413827

2222114-23-8

Structural Information

Molecular Formula
C17H17FN4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)N4CCNCC4
InChI
InChI=1S/C17H17FN4O4/c18-11-7-9-10(8-13(11)21-5-3-19-4-6-21)17(26)22(16(9)25)12-1-2-14(23)20-15(12)24/h7-8,12,19H,1-6H2,(H,20,23,24)
InChIKey
YNGDWIBEYDEYGU-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

360.12338 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13066 187.3
[M+Na]+ 383.11260 194.0
[M-H]- 359.11610 188.2
[M+NH4]+ 378.15720 195.2
[M+K]+ 399.08654 186.7
[M+H-H2O]+ 343.12064 176.2
[M+HCOO]- 405.12158 194.0
[M+CH3COO]- 419.13723 193.8
[M+Na-2H]- 381.09805 182.4
[M]+ 360.12283 177.5
[M]- 360.12393 177.5
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