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-d]pyrazole-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.144816 166.5
[M+Na]+ 304.126758 175.2
[M-H]- 280.130264 168.0
[M+NH4]+ 299.171363 183.6
[M+K]+ 320.100698 174.7
[M+H-H2O]+ 264.134800 160.3
[M+HCOO]- 326.135741 183.3
[M+CH3COO]- 340.151391 199.0
[M+Na-2H]- 302.112206 166.5
[M]+ 281.13699142 171.7
[M]- 281.13808858 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