CID 208572

32451-24-4

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

8
Patents

179.0807 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 135.9
[M+Na]+ 202.06992 141.4
[M-H]- 178.07342 138.8
[M+NH4]+ 197.11452 153.1
[M+K]+ 218.04386 140.3
[M+H-H2O]+ 162.07796 127.8
[M+HCOO]- 224.07890 162.9
[M+CH3COO]- 238.09455 190.1
[M+Na-2H]- 200.05537 142.6
[M]+ 179.08015 131.1
[M]- 179.08125 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