CID 10220948

Si-2

Structural Information

Molecular Formula

C₁₅H₁₅N₅

SMILES

C/C(=N\NC1=NC2=CC=CC=C2N1C)/C3=CC=CC=N3

InChI

InChI=1S/C15H15N5/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2/h3-10H,1-2H3,(H,17,19)/b18-11+

InChIKey

JNNXERNBPXXNLK-WOJGMQOQSA-N

Compound name

1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 265.13275 Da
Monoisotopic Mass: 2.9
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]+	266.140026	159.8
[M+Na]+	288.121968	169.0
[M-H]-	264.125474	165.6
[M+NH4]+	283.166573	175.2
[M+K]+	304.095908	164.1
[M+H-H2O]+	248.130010	149.6
[M+HCOO]-	310.130951	184.7
[M+CH3COO]-	324.146601	172.0
[M+Na-2H]-	286.107416	167.8
[M]+	265.13220142	161.7
[M]-	265.13329858	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe