CID 71305811

1160248-16-7

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC(C)(C)OC(=O)N1CCN2C=NC(=C2C1)C(=O)O
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-5-15-7-13-9(10(16)17)8(15)6-14/h7H,4-6H2,1-3H3,(H,16,17)
InChIKey
ZBPUKXNTBSOWSZ-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

267.12192 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 161.9
[M+Na]+ 290.11114 168.9
[M-H]- 266.11464 161.1
[M+NH4]+ 285.15574 176.6
[M+K]+ 306.08508 167.5
[M+H-H2O]+ 250.11918 155.0
[M+HCOO]- 312.12012 175.3
[M+CH3COO]- 326.13577 193.2
[M+Na-2H]- 288.09659 164.1
[M]+ 267.12137 162.4
[M]- 267.12247 162.4
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

patents stripe