CID 70554

1019-80-3

Structural Information

Molecular Formula
C12H12N4
SMILES
C1=CC=C(C=C1)C2=CC(=NC=C2)C(=NN)N
InChI
InChI=1S/C12H12N4/c13-12(16-14)11-8-10(6-7-15-11)9-4-2-1-3-5-9/h1-8H,14H2,(H2,13,16)
InChIKey
NDKWVYKEXQBMOW-UHFFFAOYSA-N
Compound name
N'-amino-4-phenylpyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 146.0
[M+Na]+ 235.095418 152.5
[M-H]- 211.098924 152.0
[M+NH4]+ 230.140023 162.3
[M+K]+ 251.069358 148.8
[M+H-H2O]+ 195.103460 137.2
[M+HCOO]- 257.104401 172.4
[M+CH3COO]- 271.120051 195.3
[M+Na-2H]- 233.080866 153.1
[M]+ 212.10565142 141.7
[M]- 212.10674858 141.7
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.