CID 4594667

Dimethyl naphthalene-1,5-diyldicarbamate

Structural Information

Molecular Formula
C14H14N2O4
SMILES
COC(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)OC
InChI
InChI=1S/C14H14N2O4/c1-19-13(17)15-11-7-3-6-10-9(11)5-4-8-12(10)16-14(18)20-2/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKey
DIDUBGFFSUEEGU-UHFFFAOYSA-N
Compound name
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

274.09537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 160.6
[M+Na]+ 297.08459 171.2
[M+NH4]+ 292.12919 167.2
[M+K]+ 313.05853 166.1
[M-H]- 273.08809 162.6
[M+Na-2H]- 295.07004 165.7
[M]+ 274.09482 162.3
[M]- 274.09592 162.3
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