CID 9575542

[(e)-[amino(o-tolyl)methylene]amino] naphthalene-1-carboxylate

Structural Information

Molecular Formula
C19H16N2O2
SMILES
CC1=CC=CC=C1/C(=N\OC(=O)C2=CC=CC3=CC=CC=C32)/N
InChI
InChI=1S/C19H16N2O2/c1-13-7-2-4-10-15(13)18(20)21-23-19(22)17-12-6-9-14-8-3-5-11-16(14)17/h2-12H,1H3,(H2,20,21)
InChIKey
SYAFBZSFUPTXJK-UHFFFAOYSA-N
Compound name
[(E)-[amino-(2-methylphenyl)methylidene]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 170.7
[M+Na]+ 327.11042 177.0
[M-H]- 303.11392 179.0
[M+NH4]+ 322.15502 186.0
[M+K]+ 343.08436 172.9
[M+H-H2O]+ 287.11846 161.7
[M+HCOO]- 349.11940 194.8
[M+CH3COO]- 363.13505 211.8
[M+Na-2H]- 325.09587 175.8
[M]+ 304.12065 170.5
[M]- 304.12175 170.5
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.