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]+ 296.160476 170.3
[M+Na]+ 318.142418 177.9
[M-H]- 294.145924 171.0
[M+NH4]+ 313.187023 185.0
[M+K]+ 334.116358 176.8
[M+H-H2O]+ 278.150460 163.2
[M+HCOO]- 340.151401 184.6
[M+CH3COO]- 354.167051 202.2
[M+Na-2H]- 316.127866 171.3
[M]+ 295.15265142 173.7
[M]- 295.15374858 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