CID 364954

Nsc631840

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCC1=CC=CC=C1NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N
InChI
InChI=1S/C19H18N4O3/c1-2-12-8-6-7-11-14(12)21-18(25)16(24)15-17(20)22-23(19(15)26)13-9-4-3-5-10-13/h3-11,15H,2H2,1H3,(H2,20,22)(H,21,25)
InChIKey
JGFPJQXISCLJJD-UHFFFAOYSA-N
Compound name
2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(2-ethylphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 182.2
[M+Na]+ 373.12710 188.4
[M-H]- 349.13060 189.5
[M+NH4]+ 368.17170 192.9
[M+K]+ 389.10104 183.7
[M+H-H2O]+ 333.13514 172.0
[M+HCOO]- 395.13608 203.5
[M+CH3COO]- 409.15173 217.9
[M+Na-2H]- 371.11255 181.6
[M]+ 350.13733 180.9
[M]- 350.13843 180.9
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.