CID 9575550

[(e)-[amino-(2,4-dimethylphenyl)methylene]amino] naphthalene-1-carboxylate

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CC1=CC(=C(C=C1)/C(=N\OC(=O)C2=CC=CC3=CC=CC=C32)/N)C
InChI
InChI=1S/C20H18N2O2/c1-13-10-11-16(14(2)12-13)19(21)22-24-20(23)18-9-5-7-15-6-3-4-8-17(15)18/h3-12H,1-2H3,(H2,21,22)
InChIKey
HDQULLFDNJNLBQ-UHFFFAOYSA-N
Compound name
[(E)-[amino-(2,4-dimethylphenyl)methylidene]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.13684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.7
[M+Na]+ 341.12606 182.4
[M-H]- 317.12956 184.1
[M+NH4]+ 336.17066 190.7
[M+K]+ 357.10000 178.2
[M+H-H2O]+ 301.13410 166.7
[M+HCOO]- 363.13504 199.4
[M+CH3COO]- 377.15069 216.0
[M+Na-2H]- 339.11151 179.4
[M]+ 318.13629 176.2
[M]- 318.13739 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.