CID 2463

Buterazine

Structural Information

Molecular Formula

C₁₄H₁₆N₄

SMILES

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

InChI

InChI=1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)

InChIKey

DQGFCLJXYFXXIJ-UHFFFAOYSA-N

Compound name

N-(4-methylpent-3-en-2-ylideneamino)phthalazin-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 2310
Patents: 240.1375 Da
Monoisotopic Mass: 3.1
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]+	241.14478	156.2
[M+Na]+	263.12672	162.8
[M-H]-	239.13022	159.0
[M+NH4]+	258.17132	172.1
[M+K]+	279.10066	159.0
[M+H-H2O]+	223.13476	147.3
[M+HCOO]-	285.13570	178.3
[M+CH3COO]-	299.15135	201.3
[M+Na-2H]-	261.11217	163.4
[M]+	240.13695	155.7
[M]-	240.13805	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe