CID 165386881

Bms-986449

Structural Information

Molecular Formula
C21H21FN4O3
SMILES
C[C@@H]1C2=C(C=CC(=C2F)C3=NC(=C(C(=C3)C)C)N)C(=O)N1[C@H]4CCC(=O)NC4=O
InChI
InChI=1S/C21H21FN4O3/c1-9-8-14(24-19(23)10(9)2)12-4-5-13-17(18(12)22)11(3)26(21(13)29)15-6-7-16(27)25-20(15)28/h4-5,8,11,15H,6-7H2,1-3H3,(H2,23,24)(H,25,27,28)/t11-,15+/m1/s1
InChIKey
CNRNDVOTRSDMEF-ABAIWWIYSA-N
Compound name
(3S)-3-[(1R)-6-(6-amino-4,5-dimethylpyridin-2-yl)-7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.15976 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16704 199.5
[M+Na]+ 419.14898 209.6
[M-H]- 395.15248 204.3
[M+NH4]+ 414.19358 208.8
[M+K]+ 435.12292 201.8
[M+H-H2O]+ 379.15702 189.0
[M+HCOO]- 441.15796 212.0
[M+CH3COO]- 455.17361 227.8
[M+Na-2H]- 417.13443 193.6
[M]+ 396.15921 195.6
[M]- 396.16031 195.6
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.