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 178.5
[M+Na]+ 345.13402 185.4
[M-H]- 321.13752 183.0
[M+NH4]+ 340.17862 192.4
[M+K]+ 361.10796 180.9
[M+H-H2O]+ 305.14206 170.2
[M+HCOO]- 367.14300 187.8
[M+CH3COO]- 381.15865 207.7
[M+Na-2H]- 343.11947 177.0
[M]+ 322.14425 179.1
[M]- 322.14535 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.