CID 9604787

N-[(z)-[1-(p-tolyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C17H17N7
SMILES
CC1=CC=C(C=C1)/C(=N/N=C(/C2=CC=CC=N2)\N)/CN3C=NC=N3
InChI
InChI=1S/C17H17N7/c1-13-5-7-14(8-6-13)16(10-24-12-19-11-21-24)22-23-17(18)15-4-2-3-9-20-15/h2-9,11-12H,10H2,1H3,(H2,18,23)/b22-16+
InChIKey
LPDMKSCZEPTLMA-CJLVFECKSA-N
Compound name
N'-[(Z)-[1-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15454 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16182 173.5
[M+Na]+ 342.14376 179.3
[M-H]- 318.14726 180.4
[M+NH4]+ 337.18836 183.5
[M+K]+ 358.11770 174.4
[M+H-H2O]+ 302.15180 160.8
[M+HCOO]- 364.15274 197.5
[M+CH3COO]- 378.16839 183.4
[M+Na-2H]- 340.12921 179.0
[M]+ 319.15399 172.3
[M]- 319.15509 172.3
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.