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

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 159.2
[M+Na]+ 297.08459 165.9
[M-H]- 273.08809 164.0
[M+NH4]+ 292.12919 175.9
[M+K]+ 313.05853 164.3
[M+H-H2O]+ 257.09263 151.9
[M+HCOO]- 319.09357 183.3
[M+CH3COO]- 333.10922 202.0
[M+Na-2H]- 295.07004 165.2
[M]+ 274.09482 161.8
[M]- 274.09592 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