CID 30883

21977-22-0

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
C1CCN(CC1)CCN2CC3=C(CO2)C=C(C=C3)Cl
InChI
InChI=1S/C15H21ClN2O/c16-15-5-4-13-11-18(19-12-14(13)10-15)9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9,11-12H2
InChIKey
FCXYQRIVOMAJQK-UHFFFAOYSA-N
Compound name
7-chloro-3-(2-piperidin-1-ylethyl)-1,4-dihydro-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.141526 166.1
[M+Na]+ 303.123468 171.0
[M-H]- 279.126974 169.4
[M+NH4]+ 298.168073 179.2
[M+K]+ 319.097408 166.7
[M+H-H2O]+ 263.131510 156.4
[M+HCOO]- 325.132451 174.4
[M+CH3COO]- 339.148101 175.2
[M+Na-2H]- 301.108916 169.9
[M]+ 280.13370142 162.6
[M]- 280.13479858 162.6
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.