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]+ 295.120776 169.5
[M+Na]+ 317.102718 177.6
[M-H]- 293.106224 174.2
[M+NH4]+ 312.147323 184.7
[M+K]+ 333.076658 173.1
[M+H-H2O]+ 277.110760 161.4
[M+HCOO]- 339.111701 180.5
[M+CH3COO]- 353.127351 180.1
[M+Na-2H]- 315.088166 170.1
[M]+ 294.11295142 169.9
[M]- 294.11404858 169.9
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.