CID 155973002

Tert-butyl n-({5-fluorofuro[3,2-b]pyridin-2-yl}methyl)carbamate

Structural Information

Molecular Formula
C13H15FN2O3
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(O1)C=CC(=N2)F
InChI
InChI=1S/C13H15FN2O3/c1-13(2,3)19-12(17)15-7-8-6-9-10(18-8)4-5-11(14)16-9/h4-6H,7H2,1-3H3,(H,15,17)
InChIKey
ZJZCEGPYEPTDAM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-fluorofuro[3,2-b]pyridin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10666 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11394 158.7
[M+Na]+ 289.09588 168.3
[M-H]- 265.09938 162.2
[M+NH4]+ 284.14048 175.8
[M+K]+ 305.06982 167.0
[M+H-H2O]+ 249.10392 151.5
[M+HCOO]- 311.10486 180.1
[M+CH3COO]- 325.12051 197.6
[M+Na-2H]- 287.08133 165.4
[M]+ 266.10611 163.4
[M]- 266.10721 163.4
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.