CID 135754401

Brn 5638656

Structural Information

Molecular Formula
C20H18N4O4
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18N4O4/c1-13-18(20(27)24-22-13)10-14-4-8-17(9-5-14)28-12-19(26)23-21-11-15-2-6-16(25)7-3-15/h2-11,25H,12H2,1H3,(H,23,26)(H,24,27)/b18-10-,21-11+
InChIKey
INGXBBUMEDOZPT-DABDJHBXSA-N
Compound name
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14008 190.5
[M+Na]+ 401.12202 200.8
[M+NH4]+ 396.16662 194.2
[M+K]+ 417.09596 197.0
[M-H]- 377.12552 193.4
[M+Na-2H]- 399.10747 196.3
[M]+ 378.13225 192.2
[M]- 378.13335 192.2
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.