CID 20322

P-nitrophenylbiguanide

Structural Information

Molecular Formula
C8H10N6O2
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C8H10N6O2/c9-7(10)13-8(11)12-5-1-3-6(4-2-5)14(15)16/h1-4H,(H6,9,10,11,12,13)
InChIKey
BRGSYTBCYKKSBQ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(4-nitrophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

222.08652 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09380 145.0
[M+Na]+ 245.07574 152.3
[M+NH4]+ 240.12034 150.9
[M+K]+ 261.04968 151.7
[M-H]- 221.07924 149.5
[M+Na-2H]- 243.06119 149.7
[M]+ 222.08597 146.5
[M]- 222.08707 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe