CID 6908378

Akos001354777

Structural Information

Molecular Formula
C14H12FN3O
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=C(C=C2)N)F
InChI
InChI=1S/C14H12FN3O/c15-13-4-2-1-3-11(13)9-17-18-14(19)10-5-7-12(16)8-6-10/h1-9H,16H2,(H,18,19)/b17-9+
InChIKey
YROWEDLUJHTSOA-RQZCQDPDSA-N
Compound name
4-amino-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09644 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10372 156.1
[M+Na]+ 280.08566 162.9
[M-H]- 256.08916 162.6
[M+NH4]+ 275.13026 172.3
[M+K]+ 296.05960 158.8
[M+H-H2O]+ 240.09370 146.8
[M+HCOO]- 302.09464 182.9
[M+CH3COO]- 316.11029 203.8
[M+Na-2H]- 278.07111 161.4
[M]+ 257.09589 152.8
[M]- 257.09699 152.8
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

No patent data available for this compound.