CID 135483947

Nsc637444

Structural Information

Molecular Formula
C21H21N3O4
SMILES
CCOC(=O)C\1=C(OC/C1=N/NC(=O)CC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C21H21N3O4/c1-2-27-21(26)19-17(14-28-20(19)22-16-11-7-4-8-12-16)23-24-18(25)13-15-9-5-3-6-10-15/h3-12,22H,2,13-14H2,1H3,(H,24,25)/b23-17-
InChIKey
KIGJRDRBHQFHRV-QJOMJCCJSA-N
Compound name
ethyl (4E)-2-anilino-4-[(2-phenylacetyl)hydrazinylidene]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1532 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 190.4
[M+Na]+ 402.14242 193.6
[M-H]- 378.14592 201.6
[M+NH4]+ 397.18702 201.3
[M+K]+ 418.11636 191.6
[M+H-H2O]+ 362.15046 180.3
[M+HCOO]- 424.15140 216.0
[M+CH3COO]- 438.16705 225.0
[M+Na-2H]- 400.12787 192.6
[M]+ 379.15265 191.8
[M]- 379.15375 191.8
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.