CID 156064734

(s)-6-bromo-2-(4-(3-(1,3-dioxoisoindolin-2-yl)propyl)-2,2-dimethylpyrrolidin-1-yl)nicotinamide

Structural Information

Molecular Formula
C23H25BrN4O3
SMILES
CC1(C[C@@H](CN1C2=C(C=CC(=N2)Br)C(=O)N)CCCN3C(=O)C4=CC=CC=C4C3=O)C
InChI
InChI=1S/C23H25BrN4O3/c1-23(2)12-14(13-28(23)20-17(19(25)29)9-10-18(24)26-20)6-5-11-27-21(30)15-7-3-4-8-16(15)22(27)31/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H2,25,29)/t14-/m0/s1
InChIKey
OKJNBNOYOOOKGK-AWEZNQCLSA-N
Compound name
6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

484.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.11828 215.7
[M+Na]+ 507.10022 216.7
[M+NH4]+ 502.14482 218.2
[M+K]+ 523.07416 217.9
[M-H]- 483.10372 216.7
[M+Na-2H]- 505.08567 215.7
[M]+ 484.11045 214.8
[M]- 484.11155 214.8
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