CID 9604782

N-[(z)-[2-imidazol-1-yl-1-(p-tolyl)ethylidene]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C18H18N6
SMILES
CC1=CC=C(C=C1)/C(=N/N=C(/C2=CC=CC=N2)\N)/CN3C=CN=C3
InChI
InChI=1S/C18H18N6/c1-14-5-7-15(8-6-14)17(12-24-11-10-20-13-24)22-23-18(19)16-4-2-3-9-21-16/h2-11,13H,12H2,1H3,(H2,19,23)/b22-17+
InChIKey
OOANQMXISMFYIQ-OQKWZONESA-N
Compound name
N'-[(Z)-[2-imidazol-1-yl-1-(4-methylphenyl)ethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16658 174.3
[M+Na]+ 341.14852 179.6
[M-H]- 317.15202 182.2
[M+NH4]+ 336.19312 185.6
[M+K]+ 357.12246 174.7
[M+H-H2O]+ 301.15656 162.1
[M+HCOO]- 363.15750 199.3
[M+CH3COO]- 377.17315 184.4
[M+Na-2H]- 339.13397 179.0
[M]+ 318.15875 172.8
[M]- 318.15985 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.