CID 71233875

1420478-88-1

Structural Information

Molecular Formula
C18H18BrN5O2
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC(=C4N3C=CN=C4N)Br
InChI
InChI=1S/C18H18BrN5O2/c19-15-14-16(20)21-8-10-24(14)17(22-15)13-7-4-9-23(13)18(25)26-11-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21)/t13-/m0/s1
InChIKey
DLXYYJDQLZHBNU-ZDUSSCGKSA-N
Compound name
benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

415.0644 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.07168 195.8
[M+Na]+ 438.05362 198.7
[M+NH4]+ 433.09822 198.2
[M+K]+ 454.02756 201.3
[M-H]- 414.05712 197.3
[M+Na-2H]- 436.03907 198.0
[M]+ 415.06385 195.2
[M]- 415.06495 195.2
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