CID 3008894

Chembl91187

Structural Information

Molecular Formula
C14H13N3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])COC2=CC=CC(=C2)C(=N)N
InChI
InChI=1S/C14H13N3O3/c15-14(16)11-4-2-6-13(8-11)20-9-10-3-1-5-12(7-10)17(18)19/h1-8H,9H2,(H3,15,16)
InChIKey
MEXIYGNKYVKCSU-UHFFFAOYSA-N
Compound name
3-[(3-nitrophenyl)methoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.0957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 158.0
[M+Na]+ 294.08492 162.8
[M-H]- 270.08842 164.1
[M+NH4]+ 289.12952 171.9
[M+K]+ 310.05886 155.3
[M+H-H2O]+ 254.09296 154.2
[M+HCOO]- 316.09390 184.0
[M+CH3COO]- 330.10955 196.7
[M+Na-2H]- 292.07037 164.3
[M]+ 271.09515 154.2
[M]- 271.09625 154.2
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

No patent data available for this compound.