CID 375020

Nsc653846

Structural Information

Molecular Formula
C17H17N3O4
SMILES
COC1=C(C=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)OC
InChI
InChI=1S/C17H17N3O4/c1-23-15-8-7-11(9-16(15)24-2)13(10-18)19-20-17(22)12-5-3-4-6-14(12)21/h3-9,13,19,21H,1-2H3,(H,20,22)
InChIKey
HVUNESCUNADGQY-UHFFFAOYSA-N
Compound name
N'-[cyano-(3,4-dimethoxyphenyl)methyl]-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 180.4
[M+Na]+ 350.11114 187.6
[M-H]- 326.11464 184.4
[M+NH4]+ 345.15574 191.2
[M+K]+ 366.08508 184.1
[M+H-H2O]+ 310.11918 165.5
[M+HCOO]- 372.12012 199.2
[M+CH3COO]- 386.13577 221.3
[M+Na-2H]- 348.09659 181.7
[M]+ 327.12137 176.2
[M]- 327.12247 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.