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 145.9
[M+Na]+ 244.09173 149.8
[M-H]- 220.09523 149.7
[M+NH4]+ 239.13633 161.0
[M+K]+ 260.06567 149.5
[M+H-H2O]+ 204.09977 136.6
[M+HCOO]- 266.10071 174.5
[M+CH3COO]- 280.11636 204.8
[M+Na-2H]- 242.07718 151.1
[M]+ 221.10196 139.4
[M]- 221.10306 139.4
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