CID 375019

Nsc653845

Structural Information

Molecular Formula
C16H15N3O4
SMILES
COC1=C(C=CC(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C16H15N3O4/c1-23-15-8-10(6-7-14(15)21)12(9-17)18-19-16(22)11-4-2-3-5-13(11)20/h2-8,12,18,20-21H,1H3,(H,19,22)
InChIKey
XCMGBOMIGRLWQB-UHFFFAOYSA-N
Compound name
N'-[cyano-(4-hydroxy-3-methoxyphenyl)methyl]-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 177.7
[M+Na]+ 336.09548 184.8
[M-H]- 312.09898 180.6
[M+NH4]+ 331.14008 188.3
[M+K]+ 352.06942 180.9
[M+H-H2O]+ 296.10352 163.3
[M+HCOO]- 358.10446 195.4
[M+CH3COO]- 372.12011 216.7
[M+Na-2H]- 334.08093 178.9
[M]+ 313.10571 171.5
[M]- 313.10681 171.5
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.