CID 213324

26165-65-1

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)NN)C

InChI

InChI=1S/C13H15N3O/c1-9-6-7-10(2)16(9)12-5-3-4-11(8-12)13(17)15-14/h3-8H,14H2,1-2H3,(H,15,17)

InChIKey

BGAABSPYXZGBMW-UHFFFAOYSA-N

Compound name

3-(2,5-dimethylpyrrol-1-yl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 229.1215 Da
Monoisotopic Mass: 1.7
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]+	230.12878	153.0
[M+Na]+	252.11072	164.3
[M+NH4]+	247.15532	160.5
[M+K]+	268.08466	160.3
[M-H]-	228.11422	156.8
[M+Na-2H]-	250.09617	159.8
[M]+	229.12095	155.4
[M]-	229.12205	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe