CID 9642797

339005-10-6

Structural Information

Molecular Formula
C22H21N3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC3=CC=CC=C32)OC
InChI
InChI=1S/C22H21N3O4/c1-28-19-11-10-16(12-20(19)29-2)22(27)23-14-21(26)25-24-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-13H,14H2,1-2H3,(H,23,27)(H,25,26)/b24-13+
InChIKey
SJANCHKWCSVRDL-ZMOGYAJESA-N
Compound name
3,4-dimethoxy-N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 191.6
[M+Na]+ 414.142418 196.3
[M-H]- 390.145924 200.0
[M+NH4]+ 409.187023 203.1
[M+K]+ 430.116358 193.1
[M+H-H2O]+ 374.150460 181.3
[M+HCOO]- 436.151401 216.7
[M+CH3COO]- 450.167051 230.7
[M+Na-2H]- 412.127866 196.2
[M]+ 391.15265142 195.0
[M]- 391.15374858 195.0
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

patents stripe