CID 71890

Picodralazine

Structural Information

Molecular Formula

C₁₄H₁₃N₅

SMILES

C1=CC=C2C(=C1)C(=NN=C2NN)CC3=CC=NC=C3

InChI

InChI=1S/C14H13N5/c15-17-14-12-4-2-1-3-11(12)13(18-19-14)9-10-5-7-16-8-6-10/h1-8H,9,15H2,(H,17,19)

InChIKey

KCASCYQNVLPVDP-UHFFFAOYSA-N

Compound name

[4-(pyridin-4-ylmethyl)phthalazin-1-yl]hydrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 58
Patents: 251.1171 Da
Monoisotopic Mass: 1.6
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]+	252.124376	155.8
[M+Na]+	274.106318	164.2
[M-H]-	250.109824	159.1
[M+NH4]+	269.150923	168.8
[M+K]+	290.080258	158.1
[M+H-H2O]+	234.114360	145.5
[M+HCOO]-	296.115301	177.4
[M+CH3COO]-	310.130951	166.8
[M+Na-2H]-	272.091766	166.1
[M]+	251.11655142	153.7
[M]-	251.11764858	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe