CID 5210958

Akos024343049

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(C)(C)OC(=O)NNC(=O)C1=CC2=CC=CC=C2O1
InChI
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(18)16-15-12(17)11-8-9-6-4-5-7-10(9)19-11/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKey
FQLBBPMTOMLGNX-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-benzofuran-2-carbonylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.5
[M+Na]+ 299.10022 169.6
[M-H]- 275.10372 168.3
[M+NH4]+ 294.14482 179.7
[M+K]+ 315.07416 169.3
[M+H-H2O]+ 259.10826 156.3
[M+HCOO]- 321.10920 186.2
[M+CH3COO]- 335.12485 200.1
[M+Na-2H]- 297.08567 169.4
[M]+ 276.11045 166.8
[M]- 276.11155 166.8
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.