CID 208572

Isonicotinoyl aminoguanidine

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=CN=CC=C1C(=O)NN=C(N)N
InChI
InChI=1S/C7H9N5O/c8-7(9)12-11-6(13)5-1-3-10-4-2-5/h1-4H,(H,11,13)(H4,8,9,12)
InChIKey
FUMVDMAZEODKTC-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.0807 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.087976 135.9
[M+Na]+ 202.069918 141.4
[M-H]- 178.073424 138.8
[M+NH4]+ 197.114523 153.1
[M+K]+ 218.043858 140.3
[M+H-H2O]+ 162.077960 127.8
[M+HCOO]- 224.078901 162.9
[M+CH3COO]- 238.094551 190.1
[M+Na-2H]- 200.055366 142.6
[M]+ 179.08015142 131.1
[M]- 179.08124858 131.1
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