CID 6410670

Sr 95029

Structural Information

Molecular Formula

C₁₄H₁₈N₄

SMILES

CC1=CC(=NN=C1NCCNC)C2=CC=CC=C2

InChI

InChI=1S/C14H18N4/c1-11-10-13(12-6-4-3-5-7-12)17-18-14(11)16-9-8-15-2/h3-7,10,15H,8-9H2,1-2H3,(H,16,18)

InChIKey

FAXNSIHPVPBXIA-UHFFFAOYSA-N

Compound name

N-methyl-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 242.15315 Da
Monoisotopic Mass: 1.9
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]+	243.160426	156.4
[M+Na]+	265.142368	163.3
[M-H]-	241.145874	160.4
[M+NH4]+	260.186973	170.7
[M+K]+	281.116308	158.7
[M+H-H2O]+	225.150410	146.9
[M+HCOO]-	287.151351	180.2
[M+CH3COO]-	301.167001	199.4
[M+Na-2H]-	263.127816	164.2
[M]+	242.15260142	155.9
[M]-	242.15369858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe