CID 364301

Nsc630318

Structural Information

Molecular Formula
C16H17NO3
SMILES
CCCNC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC
InChI
InChI=1S/C16H17NO3/c1-3-8-17-15(18)13-9-11-6-4-5-7-12(11)10-14(13)16(19)20-2/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)
InChIKey
UGYSKLCFHZSDRU-UHFFFAOYSA-N
Compound name
methyl 3-(propylcarbamoyl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 161.9
[M+Na]+ 294.11007 168.6
[M-H]- 270.11357 166.3
[M+NH4]+ 289.15467 179.0
[M+K]+ 310.08401 165.8
[M+H-H2O]+ 254.11811 154.8
[M+HCOO]- 316.11905 184.0
[M+CH3COO]- 330.13470 201.9
[M+Na-2H]- 292.09552 166.2
[M]+ 271.12030 164.6
[M]- 271.12140 164.6
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.