CID 3069252

84459-91-6

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)CCC3=CC(=CC=C3)Cl)CN
InChI
InChI=1S/C18H19ClN2O2/c19-15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)21-12-17(11-20)23-18(21)22/h1-3,6-10,17H,4-5,11-12,20H2
InChIKey
JDEMBVCSUSOISN-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.1135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 179.6
[M+Na]+ 353.10272 187.4
[M-H]- 329.10622 188.0
[M+NH4]+ 348.14732 192.8
[M+K]+ 369.07666 181.7
[M+H-H2O]+ 313.11076 171.0
[M+HCOO]- 375.11170 195.8
[M+CH3COO]- 389.12735 190.3
[M+Na-2H]- 351.08817 179.7
[M]+ 330.11295 180.7
[M]- 330.11405 180.7
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

patents stripe