CID 9625300

3,4-dimethoxy-n-(2-oxo-2-(2-(2-(2-propynyloxy)benzylidene)hydrazino)et)benzamide

Structural Information

Molecular Formula
C21H21N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC#C)OC
InChI
InChI=1S/C21H21N3O5/c1-4-11-29-17-8-6-5-7-16(17)13-23-24-20(25)14-22-21(26)15-9-10-18(27-2)19(12-15)28-3/h1,5-10,12-13H,11,14H2,2-3H3,(H,22,26)(H,24,25)/b23-13+
InChIKey
UPERWCNVVUYJSE-YDZHTSKRSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14813 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15541 197.5
[M+Na]+ 418.13735 203.8
[M-H]- 394.14085 201.9
[M+NH4]+ 413.18195 206.1
[M+K]+ 434.11129 199.8
[M+H-H2O]+ 378.14539 181.4
[M+HCOO]- 440.14633 216.8
[M+CH3COO]- 454.16198 233.4
[M+Na-2H]- 416.12280 197.4
[M]+ 395.14758 195.9
[M]- 395.14868 195.9
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.