CID 21799

5591-57-1

Structural Information

Molecular Formula
C15H18N2O
SMILES
COC1=CC=CC2=C(C3=C(CCCCC3)N=C21)N
InChI
InChI=1S/C15H18N2O/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,(H2,16,17)
InChIKey
BPRRILISANCROT-UHFFFAOYSA-N
Compound name
4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 153.5
[M+Na]+ 265.13112 164.9
[M+NH4]+ 260.17572 162.1
[M+K]+ 281.10506 158.8
[M-H]- 241.13462 157.0
[M+Na-2H]- 263.11657 159.2
[M]+ 242.14135 156.1
[M]- 242.14245 156.1
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.