CID 165993170

2104209-15-4

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N(N=C2C(=O)OC)C
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(18)16-6-8-9(7-16)15(4)14-10(8)11(17)19-5/h6-7H2,1-5H3
InChIKey
ZFIZRNIDZMSMJK-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 3-O-methyl 1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 166.5
[M+Na]+ 304.12676 175.2
[M-H]- 280.13026 168.0
[M+NH4]+ 299.17136 183.6
[M+K]+ 320.10070 174.7
[M+H-H2O]+ 264.13480 160.3
[M+HCOO]- 326.13574 183.3
[M+CH3COO]- 340.15139 199.0
[M+Na-2H]- 302.11221 166.5
[M]+ 281.13699 171.7
[M]- 281.13809 171.7
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