CID 212783

Ambepyrine

Structural Information

Molecular Formula

C₁₈H₁₈N₄O₂

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-8-10-14(19)11-9-13)18(24)22(21(12)2)15-6-4-3-5-7-15/h3-11H,19H2,1-2H3,(H,20,23)

InChIKey

UPILTCFJXWMRIU-UHFFFAOYSA-N

Compound name

4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 322.14297 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.150246	176.0
[M+Na]+	345.132188	185.0
[M-H]-	321.135694	184.2
[M+NH4]+	340.176793	188.7
[M+K]+	361.106128	179.5
[M+H-H2O]+	305.140230	166.2
[M+HCOO]-	367.141171	199.7
[M+CH3COO]-	381.156821	213.4
[M+Na-2H]-	343.117636	177.1
[M]+	322.14242142	176.1
[M]-	322.14351858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe