CID 364944

Nsc631830

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CC1=CC(=C(C=C1)C)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N
InChI
InChI=1S/C19H18N4O3/c1-11-8-9-12(2)14(10-11)21-18(25)16(24)15-17(20)22-23(19(15)26)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,20,22)(H,21,25)
InChIKey
HJPKKBAVMOUFAV-UHFFFAOYSA-N
Compound name
2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 182.7
[M+Na]+ 373.12710 189.9
[M-H]- 349.13060 190.5
[M+NH4]+ 368.17170 193.8
[M+K]+ 389.10104 185.2
[M+H-H2O]+ 333.13514 172.9
[M+HCOO]- 395.13608 204.0
[M+CH3COO]- 409.15173 219.2
[M+Na-2H]- 371.11255 181.4
[M]+ 350.13733 181.9
[M]- 350.13843 181.9
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.