CID 2765904

116834-08-3

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3

InChI

InChI=1S/C14H11N3O2/c18-14(19)12-10-15-17(11-6-2-1-3-7-11)13(12)16-8-4-5-9-16/h1-10H,(H,18,19)

InChIKey

UOWVLCHBFVAAQI-UHFFFAOYSA-N

Compound name

1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 253.08513 Da
Monoisotopic Mass: 2.2
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]+	254.09241	155.3
[M+Na]+	276.07435	169.2
[M+NH4]+	271.11895	162.1
[M+K]+	292.04829	167.0
[M-H]-	252.07785	158.2
[M+Na-2H]-	274.05980	164.5
[M]+	253.08458	157.9
[M]-	253.08568	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe