CID 171109632

F1957-0946

Structural Information

Molecular Formula
C13H18N4O4
SMILES
CC(C)(C)OC(=O)NCCN1C=CN2C1=C(C=N2)C(=O)O
InChI
InChI=1S/C13H18N4O4/c1-13(2,3)21-12(20)14-4-5-16-6-7-17-10(16)9(8-15-17)11(18)19/h6-8H,4-5H2,1-3H3,(H,14,20)(H,18,19)
InChIKey
YIHZALVAEOGLFT-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-b]pyrazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14008 168.2
[M+Na]+ 317.12202 176.3
[M-H]- 293.12552 168.7
[M+NH4]+ 312.16662 183.5
[M+K]+ 333.09596 174.7
[M+H-H2O]+ 277.13006 161.1
[M+HCOO]- 339.13100 187.4
[M+CH3COO]- 353.14665 200.4
[M+Na-2H]- 315.10747 170.9
[M]+ 294.13225 173.2
[M]- 294.13335 173.2
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

No patent data available for this compound.