CID 364289

Nsc630307

Structural Information

Molecular Formula
C19H14ClNO3
SMILES
COC(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClNO3/c1-24-19(23)16-7-3-5-12-4-2-6-15(17(12)16)18(22)21-14-10-8-13(20)9-11-14/h2-11H,1H3,(H,21,22)
InChIKey
LIFIDUDNLOGAMW-UHFFFAOYSA-N
Compound name
methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.06622 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.07350 176.1
[M+Na]+ 362.05544 184.4
[M-H]- 338.05894 183.8
[M+NH4]+ 357.10004 191.0
[M+K]+ 378.02938 178.9
[M+H-H2O]+ 322.06348 168.5
[M+HCOO]- 384.06442 194.0
[M+CH3COO]- 398.08007 211.8
[M+Na-2H]- 360.04089 180.2
[M]+ 339.06567 180.1
[M]- 339.06677 180.1
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.