CID 136503672

881659-45-6

Structural Information

Molecular Formula
C21H20N4O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC3=CC=CC=C3NC2=O)OC
InChI
InChI=1S/C21H20N4O5/c1-29-17-8-7-14(10-18(17)30-2)20(27)22-12-19(26)25-23-11-15-9-13-5-3-4-6-16(13)24-21(15)28/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)(H,25,26)/b23-11+
InChIKey
GIQSJSSGXQEUTO-FOKLQQMPSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.14337 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15065 193.3
[M+Na]+ 431.13259 198.7
[M-H]- 407.13609 199.5
[M+NH4]+ 426.17719 202.1
[M+K]+ 447.10653 195.1
[M+H-H2O]+ 391.14063 182.6
[M+HCOO]- 453.14157 216.2
[M+CH3COO]- 467.15722 231.4
[M+Na-2H]- 429.11804 197.8
[M]+ 408.14282 196.2
[M]- 408.14392 196.2
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.