CID 146158040

2113499-37-7

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N(C(=N2)C(=O)OC)C
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-7-6-9-10(8-17)16(4)11(15-9)12(18)20-5/h6-8H2,1-5H3
InChIKey
FBURIZPPSDUOMD-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 2-O-methyl 3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.1532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 170.3
[M+Na]+ 318.14242 177.9
[M-H]- 294.14592 171.0
[M+NH4]+ 313.18702 185.0
[M+K]+ 334.11636 176.8
[M+H-H2O]+ 278.15046 163.2
[M+HCOO]- 340.15140 184.6
[M+CH3COO]- 354.16705 202.2
[M+Na-2H]- 316.12787 171.3
[M]+ 295.15265 173.7
[M]- 295.15375 173.7
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