CID 40505270

604003-26-1

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CCOC(=O)C1=NN2CCCNC(=O)C2=C1
InChI
InChI=1S/C10H13N3O3/c1-2-16-10(15)7-6-8-9(14)11-4-3-5-13(8)12-7/h6H,2-5H2,1H3,(H,11,14)
InChIKey
VXXLFPXJBMIPSZ-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 146.5
[M+Na]+ 246.08491 154.1
[M+NH4]+ 241.12951 151.4
[M+K]+ 262.05885 153.5
[M-H]- 222.08841 144.4
[M+Na-2H]- 244.07036 148.5
[M]+ 223.09514 146.5
[M]- 223.09624 146.5
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.