CID 164030877

2761170-84-5

Structural Information

Molecular Formula
C14H14FN3O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=CC(=C(C=C3C2=O)F)CN
InChI
InChI=1S/C14H14FN3O3/c15-10-4-9-8(3-7(10)5-16)6-18(14(9)21)11-1-2-12(19)17-13(11)20/h3-4,11H,1-2,5-6,16H2,(H,17,19,20)
InChIKey
VHUZYSKPEQGBJP-UHFFFAOYSA-N
Compound name
3-[6-(aminomethyl)-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

291.10193 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10921 165.4
[M+Na]+ 314.09115 174.0
[M-H]- 290.09465 167.5
[M+NH4]+ 309.13575 180.0
[M+K]+ 330.06509 168.3
[M+H-H2O]+ 274.09919 156.9
[M+HCOO]- 336.10013 180.7
[M+CH3COO]- 350.11578 202.4
[M+Na-2H]- 312.07660 164.2
[M]+ 291.10138 159.4
[M]- 291.10248 159.4
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

patents stripe