CID 3049188

64544-19-0

Structural Information

Molecular Formula

C₁₃H₁₇BrN₂O₂

SMILES

C1COCCN1CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

InChIKey

JYOYWFUWFCOJOR-UHFFFAOYSA-N

Compound name

4-bromo-N-(2-morpholin-4-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 312.04733 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.05461	164.9
[M+Na]+	335.03655	171.8
[M-H]-	311.04005	172.0
[M+NH4]+	330.08115	179.8
[M+K]+	351.01049	161.7
[M+H-H2O]+	295.04459	162.5
[M+HCOO]-	357.04553	181.4
[M+CH3COO]-	371.06118	201.4
[M+Na-2H]-	333.02200	170.5
[M]+	312.04678	180.4
[M]-	312.04788	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe