CID 135613300

444063-93-8

Structural Information

Molecular Formula
C19H21N3O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC(=C2)C)O
InChI
InChI=1S/C19H21N3O4/c1-3-26-17-10-14(7-8-16(17)23)11-21-22-18(24)12-20-19(25)15-6-4-5-13(2)9-15/h4-11,23H,3,12H2,1-2H3,(H,20,25)(H,22,24)/b21-11+
InChIKey
HNMQUZROHQDOJR-SRZZPIQSSA-N
Compound name
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.160476 183.9
[M+Na]+ 378.142418 188.4
[M-H]- 354.145924 190.5
[M+NH4]+ 373.187023 195.6
[M+K]+ 394.116358 185.4
[M+H-H2O]+ 338.150460 174.5
[M+HCOO]- 400.151401 209.0
[M+CH3COO]- 414.167051 221.8
[M+Na-2H]- 376.127866 186.1
[M]+ 355.15265142 185.8
[M]- 355.15374858 185.8
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.