CID 90462660

1355170-97-6

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)N1CCCN2C(=CC(=N2)C(=O)O)C1
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-5-4-6-16-9(8-15)7-10(14-16)11(17)18/h7H,4-6,8H2,1-3H3,(H,17,18)
InChIKey
BAOVIKKQYWXNLP-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

281.13754 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 161.5
[M+Na]+ 304.12676 167.5
[M+NH4]+ 299.17136 165.1
[M+K]+ 320.10070 168.7
[M-H]- 280.13026 158.1
[M+Na-2H]- 302.11221 162.1
[M]+ 281.13699 160.9
[M]- 281.13809 160.9
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.