CID 42347

57462-92-7

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)N3CCCC3
InChI
InChI=1S/C17H23ClN2O2/c1-3-15-17(21)20(11-12(2)19-8-4-5-9-19)14-10-13(18)6-7-16(14)22-15/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3
InChIKey
LIRIUTUJNGAKOD-UHFFFAOYSA-N
Compound name
6-chloro-2-ethyl-4-(2-pyrrolidin-1-ylpropyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1448 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 175.6
[M+Na]+ 345.13402 188.3
[M+NH4]+ 340.17862 183.5
[M+K]+ 361.10796 182.9
[M-H]- 321.13752 179.5
[M+Na-2H]- 343.11947 178.9
[M]+ 322.14425 178.7
[M]- 322.14535 178.7
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.