CID 5723510

N'-(3-hydroxy-4-methoxybenzylidene)-2-(2-toluidino)acetohydrazide

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CC1=CC=CC=C1NCC(=O)N/N=C/C2=CC(=C(C=C2)OC)O
InChI
InChI=1S/C17H19N3O3/c1-12-5-3-4-6-14(12)18-11-17(22)20-19-10-13-7-8-16(23-2)15(21)9-13/h3-10,18,21H,11H2,1-2H3,(H,20,22)/b19-10+
InChIKey
XQGBGILKBGPXEB-VXLYETTFSA-N
Compound name
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 172.6
[M+Na]+ 336.13186 178.1
[M-H]- 312.13536 179.4
[M+NH4]+ 331.17646 186.2
[M+K]+ 352.10580 174.8
[M+H-H2O]+ 296.13990 163.5
[M+HCOO]- 358.14084 198.9
[M+CH3COO]- 372.15649 214.0
[M+Na-2H]- 334.11731 176.9
[M]+ 313.14209 173.8
[M]- 313.14319 173.8
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.