CID 139026634

2361634-65-1

Structural Information

Molecular Formula
C17H28N4O2
SMILES
CC1=NC(=C2N1CCN(C2)C(=O)OC(C)(C)C)C3CCNCC3
InChI
InChI=1S/C17H28N4O2/c1-12-19-15(13-5-7-18-8-6-13)14-11-20(9-10-21(12)14)16(22)23-17(2,3)4/h13,18H,5-11H2,1-4H3
InChIKey
UQRJAVIBCMYYMO-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-1-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.22122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22850 183.7
[M+Na]+ 343.21044 187.9
[M-H]- 319.21394 183.4
[M+NH4]+ 338.25504 194.6
[M+K]+ 359.18438 183.9
[M+H-H2O]+ 303.21848 174.2
[M+HCOO]- 365.21942 191.4
[M+CH3COO]- 379.23507 204.9
[M+Na-2H]- 341.19589 182.3
[M]+ 320.22067 178.4
[M]- 320.22177 178.4
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

No patent data available for this compound.