CID 4086564

303082-95-3

Structural Information

Molecular Formula
C16H15N3O4
SMILES
COC1=C(C=CC(=C1)C=NNC(=O)N)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H15N3O4/c1-22-14-9-11(10-18-19-16(17)21)7-8-13(14)23-15(20)12-5-3-2-4-6-12/h2-10H,1H3,(H3,17,19,21)
InChIKey
HXMXIABVKYNVPJ-UHFFFAOYSA-N
Compound name
[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 172.2
[M+Na]+ 336.09548 182.3
[M+NH4]+ 331.14008 177.7
[M+K]+ 352.06942 177.1
[M-H]- 312.09898 176.2
[M+Na-2H]- 334.08093 179.1
[M]+ 313.10571 174.3
[M]- 313.10681 174.3
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.