CID 135716588

767314-07-8

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C22H21N3O4/c1-2-29-17-10-7-16(8-11-17)22(28)23-14-21(27)25-24-13-19-18-6-4-3-5-15(18)9-12-20(19)26/h3-13,26H,2,14H2,1H3,(H,23,28)(H,25,27)/b24-13+
InChIKey
WNPWNGZRNQHIRY-ZMOGYAJESA-N
Compound name
4-ethoxy-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1532 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 191.1
[M+Na]+ 414.142418 195.4
[M-H]- 390.145924 198.1
[M+NH4]+ 409.187023 201.9
[M+K]+ 430.116358 191.5
[M+H-H2O]+ 374.150460 181.1
[M+HCOO]- 436.151401 214.7
[M+CH3COO]- 450.167051 228.5
[M+Na-2H]- 412.127866 195.4
[M]+ 391.15265142 192.8
[M]- 391.15374858 192.8
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.