CID 32586

24664-51-5

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C19H18N4O2/c1-13-18(19(25)23(22-13)17-6-4-3-5-7-17)12-20-15-8-10-16(11-9-15)21-14(2)24/h3-12,22H,1-2H3,(H,21,24)
InChIKey
NLSXWTZQURZNGE-UHFFFAOYSA-N
Compound name
N-[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 178.9
[M+Na]+ 357.13219 186.8
[M-H]- 333.13569 187.0
[M+NH4]+ 352.17679 191.0
[M+K]+ 373.10613 180.8
[M+H-H2O]+ 317.14023 168.6
[M+HCOO]- 379.14117 203.1
[M+CH3COO]- 393.15682 214.2
[M+Na-2H]- 355.11764 181.2
[M]+ 334.14242 179.1
[M]- 334.14352 179.1
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.