CID 31666

4-(3-pyrrolidinyl)-2h-1,4-benzoxazin-3(4h)-one hydrochloride

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CNCC1N2C(=O)COC3=CC=CC=C32
InChI
InChI=1S/C12H14N2O2/c15-12-8-16-11-4-2-1-3-10(11)14(12)9-5-6-13-7-9/h1-4,9,13H,5-8H2
InChIKey
SPJAZAMCKFBLPE-UHFFFAOYSA-N
Compound name
4-pyrrolidin-3-yl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 148.9
[M+Na]+ 241.09475 160.8
[M+NH4]+ 236.13935 157.1
[M+K]+ 257.06869 156.6
[M-H]- 217.09825 152.5
[M+Na-2H]- 239.08020 153.5
[M]+ 218.10498 151.4
[M]- 218.10608 151.4
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

patents stripe