CID 9575132

N1-[2-(2-pyrrolyl)ethylene]pyridine-2-carboxamidrazone

Structural Information

Molecular Formula
C12H13N5
SMILES
C1=CC=NC(=C1)/C(=N/N=C/CC2=CC=CN2)/N
InChI
InChI=1S/C12H13N5/c13-12(11-5-1-2-7-15-11)17-16-9-6-10-4-3-8-14-10/h1-5,7-9,14H,6H2,(H2,13,17)/b16-9+
InChIKey
FTLDQKFPSGBBED-CXUHLZMHSA-N
Compound name
N'-[(E)-2-(1H-pyrrol-2-yl)ethylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.1171 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 149.1
[M+Na]+ 250.10632 154.7
[M-H]- 226.10982 153.9
[M+NH4]+ 245.15092 165.2
[M+K]+ 266.08026 150.9
[M+H-H2O]+ 210.11436 139.2
[M+HCOO]- 272.11530 175.7
[M+CH3COO]- 286.13095 195.9
[M+Na-2H]- 248.09177 155.7
[M]+ 227.11655 145.9
[M]- 227.11765 145.9
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.