CID 375017

Nsc653843

Structural Information

Molecular Formula
C15H13N3O3
SMILES
C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H13N3O3/c16-9-13(10-5-7-11(19)8-6-10)17-18-15(21)12-3-1-2-4-14(12)20/h1-8,13,17,19-20H,(H,18,21)
InChIKey
NMRCKZYOCFRXEB-UHFFFAOYSA-N
Compound name
N'-[cyano-(4-hydroxyphenyl)methyl]-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 171.7
[M+Na]+ 306.08492 178.8
[M-H]- 282.08842 174.5
[M+NH4]+ 301.12952 183.3
[M+K]+ 322.05886 174.1
[M+H-H2O]+ 266.09296 157.5
[M+HCOO]- 328.09390 189.6
[M+CH3COO]- 342.10955 210.8
[M+Na-2H]- 304.07037 173.9
[M]+ 283.09515 163.7
[M]- 283.09625 163.7
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.