CID 6510170

192658-25-6

Structural Information

Molecular Formula
C16H21FN2O3
SMILES
C/C(=N/OC(=O)NC1=CC=C(C=C1)F)/C2(CCCCC2)OC
InChI
InChI=1S/C16H21FN2O3/c1-12(16(21-2)10-4-3-5-11-16)19-22-15(20)18-14-8-6-13(17)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,18,20)/b19-12-
InChIKey
UPQVWVQTRGMYOU-UNOMPAQXSA-N
Compound name
[(Z)-1-(1-methoxycyclohexyl)ethylideneamino] N-(4-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15363 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16091 171.2
[M+Na]+ 331.14285 174.4
[M-H]- 307.14635 176.7
[M+NH4]+ 326.18745 187.3
[M+K]+ 347.11679 173.0
[M+H-H2O]+ 291.15089 162.2
[M+HCOO]- 353.15183 192.1
[M+CH3COO]- 367.16748 209.1
[M+Na-2H]- 329.12830 173.9
[M]+ 308.15308 168.1
[M]- 308.15418 168.1
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.