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]+ 323.152076 178.5
[M+Na]+ 345.134018 185.4
[M-H]- 321.137524 183.0
[M+NH4]+ 340.178623 192.4
[M+K]+ 361.107958 180.9
[M+H-H2O]+ 305.142060 170.2
[M+HCOO]- 367.143001 187.8
[M+CH3COO]- 381.158651 207.7
[M+Na-2H]- 343.119466 177.0
[M]+ 322.14425142 179.1
[M]- 322.14534858 179.1
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.