CID 22003

Brn 1532069

Structural Information

Molecular Formula
C14H14ClNO
SMILES
C1CCC2=C(CC1)NC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C14H14ClNO/c15-9-6-7-13-11(8-9)14(17)10-4-2-1-3-5-12(10)16-13/h6-8H,1-5H2,(H,16,17)
InChIKey
GKWWPFSAIOSLSR-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 150.1
[M+Na]+ 270.06561 159.3
[M-H]- 246.06911 153.9
[M+NH4]+ 265.11021 167.9
[M+K]+ 286.03955 156.6
[M+H-H2O]+ 230.07365 144.8
[M+HCOO]- 292.07459 163.0
[M+CH3COO]- 306.09024 161.7
[M+Na-2H]- 268.05106 156.7
[M]+ 247.07584 146.3
[M]- 247.07694 146.3
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

patents stripe