CID 22004

Mas 723

Structural Information

Molecular Formula
C15H16ClNO
SMILES
COC1=CC=CC2=C1N=C3CCCCCC3=C2Cl
InChI
InChI=1S/C15H16ClNO/c1-18-13-9-5-7-11-14(16)10-6-3-2-4-8-12(10)17-15(11)13/h5,7,9H,2-4,6,8H2,1H3
InChIKey
UZPGPOWNZCKZNM-UHFFFAOYSA-N
Compound name
11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.09204 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 154.7
[M+Na]+ 284.08126 163.5
[M-H]- 260.08476 159.4
[M+NH4]+ 279.12586 172.6
[M+K]+ 300.05520 161.9
[M+H-H2O]+ 244.08930 148.7
[M+HCOO]- 306.09024 168.4
[M+CH3COO]- 320.10589 166.4
[M+Na-2H]- 282.06671 161.1
[M]+ 261.09149 153.4
[M]- 261.09259 153.4
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