CID 98694

N-(4-nitrophenyl)benzenecarboximidamide

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H11N3O2/c14-13(10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(17)18/h1-9H,(H2,14,15)
InChIKey
KKHKAKFFKIQWLS-UHFFFAOYSA-N
Compound name
N'-(4-nitrophenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

241.08513 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 150.8
[M+Na]+ 264.07435 155.8
[M-H]- 240.07785 158.2
[M+NH4]+ 259.11895 166.6
[M+K]+ 280.04829 148.8
[M+H-H2O]+ 224.08239 147.0
[M+HCOO]- 286.08333 178.6
[M+CH3COO]- 300.09898 192.3
[M+Na-2H]- 262.05980 158.5
[M]+ 241.08458 146.7
[M]- 241.08568 146.7
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