CID 45054990

2-((4-fluorobenzyl)oxy)-1-naphthaldehyde semicarbazone

Structural Information

Molecular Formula
C19H16FN3O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)N)OCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FN3O2/c20-15-8-5-13(6-9-15)12-25-18-10-7-14-3-1-2-4-16(14)17(18)11-22-23-19(21)24/h1-11H,12H2,(H3,21,23,24)/b22-11+
InChIKey
RIKLVNVOUBJJNG-SSDVNMTOSA-N
Compound name
[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.12265 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12993 176.3
[M+Na]+ 360.11187 183.0
[M-H]- 336.11537 183.3
[M+NH4]+ 355.15647 190.1
[M+K]+ 376.08581 178.0
[M+H-H2O]+ 320.11991 165.9
[M+HCOO]- 382.12085 201.3
[M+CH3COO]- 396.13650 220.0
[M+Na-2H]- 358.09732 181.8
[M]+ 337.12210 175.4
[M]- 337.12320 175.4
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.