CID 10618

Noramidopyrine

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

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

InChI

InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3

InChIKey

JILCEWWZTBBOFS-UHFFFAOYSA-N

Compound name

1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 98
References: 287
Patents: 217.1215 Da
Monoisotopic Mass: 0.8
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]+	218.12878	148.6
[M+Na]+	240.11072	162.2
[M+NH4]+	235.15532	156.2
[M+K]+	256.08466	157.4
[M-H]-	216.11422	151.8
[M+Na-2H]-	238.09617	156.2
[M]+	217.12095	151.3
[M]-	217.12205	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe