CID 9575143

N-(4-methoxy-phenyl)-2-[1-(2-oxo-3,8a-dihydro-2h-chromen-3-yl)-ethylidene-hydrazinocarbonyl]-acetamide

Structural Information

Molecular Formula
C21H21N3O5
SMILES
C/C(=N\NC(=O)CC(=O)NC1=CC=C(C=C1)OC)/C2C=C3C=CC=CC3OC2=O
InChI
InChI=1S/C21H21N3O5/c1-13(17-11-14-5-3-4-6-18(14)29-21(17)27)23-24-20(26)12-19(25)22-15-7-9-16(28-2)10-8-15/h3-11,17-18H,12H2,1-2H3,(H,22,25)(H,24,26)/b23-13+
InChIKey
CPMKTCBERKKFPZ-YDZHTSKRSA-N
Compound name
N-(4-methoxyphenyl)-N'-[(E)-1-(2-oxo-3,8a-dihydrochromen-3-yl)ethylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.14813 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15541 192.5
[M+Na]+ 418.13735 195.7
[M-H]- 394.14085 201.0
[M+NH4]+ 413.18195 202.2
[M+K]+ 434.11129 194.7
[M+H-H2O]+ 378.14539 182.5
[M+HCOO]- 440.14633 213.5
[M+CH3COO]- 454.16198 231.5
[M+Na-2H]- 416.12280 195.4
[M]+ 395.14758 193.6
[M]- 395.14868 193.6
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.