CID 5388128

Nsc632029

Structural Information

Molecular Formula
C29H21F3N6O4
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)/C(=N/NC(=O)C3=CC4=CC=CC=C4C=C3O)/C(=O)NC5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C29H21F3N6O4/c30-29(31,32)18-9-6-10-19(15-18)34-27(41)24(23-25(33)37-38(28(23)42)20-11-2-1-3-12-20)35-36-26(40)21-13-16-7-4-5-8-17(16)14-22(21)39/h1-15,23,39H,(H2,33,37)(H,34,41)(H,36,40)/b35-24-
InChIKey
BBBAEHWCONSLKW-BGDIREAQSA-N
Compound name
N-[(Z)-[1-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.15765 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.16493 228.8
[M+Na]+ 597.14687 232.8
[M-H]- 573.15037 236.1
[M+NH4]+ 592.19147 229.9
[M+K]+ 613.12081 227.0
[M+H-H2O]+ 557.15491 214.6
[M+HCOO]- 619.15585 243.7
[M+CH3COO]- 633.17150 263.4
[M+Na-2H]- 595.13232 228.7
[M]+ 574.15710 223.5
[M]- 574.15820 223.5
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.