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]+ 335.150246 178.9
[M+Na]+ 357.132188 186.8
[M-H]- 333.135694 187.0
[M+NH4]+ 352.176793 191.0
[M+K]+ 373.106128 180.8
[M+H-H2O]+ 317.140230 168.6
[M+HCOO]- 379.141171 203.1
[M+CH3COO]- 393.156821 214.2
[M+Na-2H]- 355.117636 181.2
[M]+ 334.14242142 179.1
[M]- 334.14351858 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.