CID 9557766

518018-59-2

Structural Information

Molecular Formula
C17H15FN4O
SMILES
C1=CC=C2C(=C1)N=CN2CCC(=O)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN4O/c18-14-7-5-13(6-8-14)11-20-21-17(23)9-10-22-12-19-15-3-1-2-4-16(15)22/h1-8,11-12H,9-10H2,(H,21,23)/b20-11+
InChIKey
LADPYTUIANZMAM-RGVLZGJSSA-N
Compound name
3-(benzimidazol-1-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.123 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13028 169.4
[M+Na]+ 333.11222 177.9
[M-H]- 309.11572 174.8
[M+NH4]+ 328.15682 184.1
[M+K]+ 349.08616 172.3
[M+H-H2O]+ 293.12026 158.5
[M+HCOO]- 355.12120 194.3
[M+CH3COO]- 369.13685 180.8
[M+Na-2H]- 331.09767 175.7
[M]+ 310.12245 171.0
[M]- 310.12355 171.0
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.