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 169.5
[M+Na]+ 317.10272 177.6
[M-H]- 293.10622 174.2
[M+NH4]+ 312.14732 184.7
[M+K]+ 333.07666 173.1
[M+H-H2O]+ 277.11076 161.4
[M+HCOO]- 339.11170 180.5
[M+CH3COO]- 353.12735 180.1
[M+Na-2H]- 315.08817 170.1
[M]+ 294.11295 169.9
[M]- 294.11405 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.