CID 164063965

2170801-87-1

Structural Information

Molecular Formula
C18H19N5O2
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C4N3C=CN=C4N
InChI
InChI=1S/C18H19N5O2/c19-16-15-11-21-17(22(15)10-8-20-16)14-7-4-9-23(14)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8,10-11,14H,4,7,9,12H2,(H2,19,20)/t14-/m0/s1
InChIKey
WJIKKVMDANXFJV-AWEZNQCLSA-N
Compound name
benzyl (2S)-2-(8-aminoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 177.3
[M+Na]+ 360.14309 185.1
[M-H]- 336.14659 183.3
[M+NH4]+ 355.18769 189.1
[M+K]+ 376.11703 179.9
[M+H-H2O]+ 320.15113 166.5
[M+HCOO]- 382.15207 196.3
[M+CH3COO]- 396.16772 187.2
[M+Na-2H]- 358.12854 178.2
[M]+ 337.15332 177.2
[M]- 337.15442 177.2
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