CID 31507

N-acetylhydralazine

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

CC(=O)NNC1=NN=CC2=CC=CC=C21

InChI

InChI=1S/C10H10N4O/c1-7(15)12-14-10-9-5-3-2-4-8(9)6-11-13-10/h2-6H,1H3,(H,12,15)(H,13,14)

InChIKey

YQUVBMKWVZWZED-UHFFFAOYSA-N

Compound name

N'-phthalazin-1-ylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 202.08546 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]+	203.092736	141.3
[M+Na]+	225.074678	149.0
[M-H]-	201.078184	143.3
[M+NH4]+	220.119283	158.1
[M+K]+	241.048618	146.0
[M+H-H2O]+	185.082720	133.1
[M+HCOO]-	247.083661	164.3
[M+CH3COO]-	261.099311	189.5
[M+Na-2H]-	223.060126	151.5
[M]+	202.08491142	140.4
[M]-	202.08600858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe