CID 22002

5778-55-2

Structural Information

Molecular Formula
C14H14ClNO
SMILES
C1CCC2=C(CC1)NC3=C(C2=O)C=CC=C3Cl
InChI
InChI=1S/C14H14ClNO/c15-11-7-4-6-10-13(11)16-12-8-3-1-2-5-9(12)14(10)17/h4,6-7H,1-3,5,8H2,(H,16,17)
InChIKey
ZYAPKWOHKRMBQA-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 149.5
[M+Na]+ 270.06561 162.9
[M+NH4]+ 265.11021 158.6
[M+K]+ 286.03955 155.9
[M-H]- 246.06911 152.3
[M+Na-2H]- 268.05106 155.7
[M]+ 247.07584 152.6
[M]- 247.07694 152.6
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.