CID 27842

16376-61-7

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
C1COCCN1CN2C3=C(C=CC(=C3)Cl)OC2=O
InChI
InChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKey
HUXKPGMUERDTKR-UHFFFAOYSA-N
Compound name
5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 156.3
[M+Na]+ 291.05068 166.9
[M-H]- 267.05418 162.6
[M+NH4]+ 286.09528 171.1
[M+K]+ 307.02462 164.3
[M+H-H2O]+ 251.05872 148.6
[M+HCOO]- 313.05966 170.4
[M+CH3COO]- 327.07531 169.0
[M+Na-2H]- 289.03613 161.8
[M]+ 268.06091 160.3
[M]- 268.06201 160.3
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.