CID 5479723

Isonicotinic acid, 2-(amidinoamidino)hydrazide

Structural Information

Molecular Formula
C8H11N7O
SMILES
C1=CN=CC=C1C(=O)N/N=C(\N)/N=C(N)N
InChI
InChI=1S/C8H11N7O/c9-7(10)13-8(11)15-14-6(16)5-1-3-12-4-2-5/h1-4H,(H,14,16)(H6,9,10,11,13,15)
InChIKey
VLUGABSNMVONFJ-UHFFFAOYSA-N
Compound name
N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.10251 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10979 147.5
[M+Na]+ 244.09173 152.4
[M+NH4]+ 239.13633 152.2
[M+K]+ 260.06567 150.3
[M-H]- 220.09523 149.9
[M+Na-2H]- 242.07718 151.9
[M]+ 221.10196 147.9
[M]- 221.10306 147.9
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

patents stripe