CID 42319

57462-68-7

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCN3CCCC3
InChI
InChI=1S/C15H19ClN2O2/c1-11-15(19)18(9-8-17-6-2-3-7-17)13-10-12(16)4-5-14(13)20-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKey
LAKRYFXEGHIRAG-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12078 166.9
[M+Na]+ 317.10272 180.4
[M+NH4]+ 312.14732 175.3
[M+K]+ 333.07666 174.6
[M-H]- 293.10622 171.1
[M+Na-2H]- 315.08817 171.0
[M]+ 294.11295 170.3
[M]- 294.11405 170.3
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.