CID 375003

Nsc653829

Structural Information

Molecular Formula
C19H21N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(C#N)NNC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C19H21N3O4/c1-24-16-10-14(11-17(25-2)19(16)26-3)15(12-20)21-22-18(23)9-13-7-5-4-6-8-13/h4-8,10-11,15,21H,9H2,1-3H3,(H,22,23)
InChIKey
YPMNMTOQBDIYOZ-UHFFFAOYSA-N
Compound name
N'-[cyano-(3,4,5-trimethoxyphenyl)methyl]-2-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 187.1
[M+Na]+ 378.14242 193.8
[M-H]- 354.14592 191.9
[M+NH4]+ 373.18702 197.4
[M+K]+ 394.11636 190.6
[M+H-H2O]+ 338.15046 171.5
[M+HCOO]- 400.15140 206.6
[M+CH3COO]- 414.16705 228.6
[M+Na-2H]- 376.12787 187.9
[M]+ 355.15265 185.2
[M]- 355.15375 185.2
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.