CID 364293

Nsc630311

Structural Information

Molecular Formula
C21H19NO3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)OC)C
InChI
InChI=1S/C21H19NO3/c1-13-10-11-18(14(2)12-13)22-20(23)16-8-4-6-15-7-5-9-17(19(15)16)21(24)25-3/h4-12H,1-3H3,(H,22,23)
InChIKey
KSQZXLZLXSKWBI-UHFFFAOYSA-N
Compound name
methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1365 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 178.9
[M+Na]+ 356.12572 186.3
[M-H]- 332.12922 186.8
[M+NH4]+ 351.17032 193.4
[M+K]+ 372.09966 182.2
[M+H-H2O]+ 316.13376 170.3
[M+HCOO]- 378.13470 200.5
[M+CH3COO]- 392.15035 215.4
[M+Na-2H]- 354.11117 181.6
[M]+ 333.13595 181.4
[M]- 333.13705 181.4
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.