CID 4594667

63896-10-6

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

10
Patents

274.09537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 159.2
[M+Na]+ 297.084588 165.9
[M-H]- 273.088094 164.0
[M+NH4]+ 292.129193 175.9
[M+K]+ 313.058528 164.3
[M+H-H2O]+ 257.092630 151.9
[M+HCOO]- 319.093571 183.3
[M+CH3COO]- 333.109221 202.0
[M+Na-2H]- 295.070036 165.2
[M]+ 274.09482142 161.8
[M]- 274.09591858 161.8
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

patents stripe