CID 22001

Mas 698

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=CC=CC2=C1NC3=C(C2=O)CCCCC3
InChI
InChI=1S/C15H17NO2/c1-18-13-9-5-7-11-14(13)16-12-8-4-2-3-6-10(12)15(11)17/h5,7,9H,2-4,6,8H2,1H3,(H,16,17)
InChIKey
XRCZMTUBMIWQFS-UHFFFAOYSA-N
Compound name
4-methoxy-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

243.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 151.6
[M+Na]+ 266.11515 158.6
[M-H]- 242.11865 155.6
[M+NH4]+ 261.15975 168.5
[M+K]+ 282.08909 158.0
[M+H-H2O]+ 226.12319 146.0
[M+HCOO]- 288.12413 168.4
[M+CH3COO]- 302.13978 162.9
[M+Na-2H]- 264.10060 158.1
[M]+ 243.12538 147.4
[M]- 243.12648 147.4
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

No patent data available for this compound.