CID 735751

51944-15-1

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H18N4O2/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,19,20,24)
InChIKey
MHDYKXPQKDDFFZ-UHFFFAOYSA-N
Compound name
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

322.14297 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.150246 175.2
[M+Na]+ 345.132188 183.3
[M-H]- 321.135694 183.5
[M+NH4]+ 340.176793 187.9
[M+K]+ 361.106128 178.1
[M+H-H2O]+ 305.140230 165.1
[M+HCOO]- 367.141171 199.6
[M+CH3COO]- 381.156821 212.0
[M+Na-2H]- 343.117636 178.1
[M]+ 322.14242142 175.8
[M]- 322.14351858 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe