CID 51130775

6-bromo-4-(2-phenylmorpholin-4-yl)quinoline

Structural Information

Molecular Formula
C19H17BrN2O
SMILES
C1COC(CN1C2=C3C=C(C=CC3=NC=C2)Br)C4=CC=CC=C4
InChI
InChI=1S/C19H17BrN2O/c20-15-6-7-17-16(12-15)18(8-9-21-17)22-10-11-23-19(13-22)14-4-2-1-3-5-14/h1-9,12,19H,10-11,13H2
InChIKey
MGOJVVIDDBKTJH-UHFFFAOYSA-N
Compound name
4-(6-bromoquinolin-4-yl)-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.05243 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.05971 181.3
[M+Na]+ 391.04165 190.4
[M-H]- 367.04515 191.0
[M+NH4]+ 386.08625 193.8
[M+K]+ 407.01559 178.9
[M+H-H2O]+ 351.04969 177.7
[M+HCOO]- 413.05063 195.0
[M+CH3COO]- 427.06628 192.5
[M+Na-2H]- 389.02710 187.6
[M]+ 368.05188 196.6
[M]- 368.05298 196.6
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.