CID 45054618

767338-88-5

Structural Information

Molecular Formula
C21H23N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)OCC=C)OC
InChI
InChI=1S/C21H23N3O5/c1-4-10-29-17-7-5-6-15(11-17)13-23-24-20(25)14-22-21(26)16-8-9-18(27-2)19(12-16)28-3/h4-9,11-13H,1,10,14H2,2-3H3,(H,22,26)(H,24,25)/b23-13+
InChIKey
XCZDGPJFXSRUND-YDZHTSKRSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(3-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.16376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 194.0
[M+Na]+ 420.15298 198.0
[M-H]- 396.15648 201.5
[M+NH4]+ 415.19758 204.4
[M+K]+ 436.12692 195.6
[M+H-H2O]+ 380.16102 183.6
[M+HCOO]- 442.16196 220.2
[M+CH3COO]- 456.17761 231.4
[M+Na-2H]- 418.13843 195.8
[M]+ 397.16321 199.1
[M]- 397.16431 199.1
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.