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]+ 244.133206 151.6
[M+Na]+ 266.115148 158.6
[M-H]- 242.118654 155.6
[M+NH4]+ 261.159753 168.5
[M+K]+ 282.089088 158.0
[M+H-H2O]+ 226.123190 146.0
[M+HCOO]- 288.124131 168.4
[M+CH3COO]- 302.139781 162.9
[M+Na-2H]- 264.100596 158.1
[M]+ 243.12538142 147.4
[M]- 243.12647858 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.