CID 3039499

1h-cyclopenta(b)quinoline, 2,3-dihydro-7-bromo-9-(4-morpholinyl)-, hydrochloride

Structural Information

Molecular Formula
C16H17BrN2O
SMILES
C1CC2=C(C3=C(C=CC(=C3)Br)N=C2C1)N4CCOCC4
InChI
InChI=1S/C16H17BrN2O/c17-11-4-5-15-13(10-11)16(19-6-8-20-9-7-19)12-2-1-3-14(12)18-15/h4-5,10H,1-3,6-9H2
InChIKey
JPGCFZOXMCUAHJ-UHFFFAOYSA-N
Compound name
4-(7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05243 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05971 173.2
[M+Na]+ 355.04165 183.0
[M-H]- 331.04515 181.2
[M+NH4]+ 350.08625 190.4
[M+K]+ 371.01559 172.3
[M+H-H2O]+ 315.04969 171.5
[M+HCOO]- 377.05063 186.1
[M+CH3COO]- 391.06628 185.2
[M+Na-2H]- 353.02710 177.7
[M]+ 332.05188 188.4
[M]- 332.05298 188.4
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.