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 188.0
[M+Na]+ 401.12202 193.8
[M-H]- 377.12552 194.3
[M+NH4]+ 396.16662 197.2
[M+K]+ 417.09596 188.0
[M+H-H2O]+ 361.13006 177.6
[M+HCOO]- 423.13100 209.5
[M+CH3COO]- 437.14665 218.5
[M+Na-2H]- 399.10747 188.9
[M]+ 378.13225 187.3
[M]- 378.13335 187.3
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.