CID 20882

1-(diaminomethylidene)-2-(3-nitrophenyl)guanidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
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 141.1
[M+Na]+ 245.07574 145.2
[M-H]- 221.07924 146.0
[M+NH4]+ 240.12034 157.0
[M+K]+ 261.04968 140.6
[M+H-H2O]+ 205.08378 137.4
[M+HCOO]- 267.08472 171.3
[M+CH3COO]- 281.10037 196.4
[M+Na-2H]- 243.06119 147.4
[M]+ 222.08597 133.8
[M]- 222.08707 133.8
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