CID 5306150

[3-fluoro-4-(4-morpholinyl)phenyl]carbamic acid phenylmethyl ester

Structural Information

Molecular Formula
C18H19FN2O3
SMILES
C1COCCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F
InChI
InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKey
XKGUZGHMWUIYDR-UHFFFAOYSA-N
Compound name
benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

801
Patents

330.13797 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14525 177.1
[M+Na]+ 353.12719 181.2
[M-H]- 329.13069 183.7
[M+NH4]+ 348.17179 186.9
[M+K]+ 369.10113 178.2
[M+H-H2O]+ 313.13523 165.7
[M+HCOO]- 375.13617 194.6
[M+CH3COO]- 389.15182 208.6
[M+Na-2H]- 351.11264 180.4
[M]+ 330.13742 173.5
[M]- 330.13852 173.5
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

patents stripe