CID 2446

Bromopride

Structural Information

Molecular Formula
C14H22BrN3O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br
InChI
InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKey
GIYAQDDTCWHPPL-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

92
References

4781
Patents

343.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.096816 173.5
[M+Na]+ 366.078758 181.5
[M-H]- 342.082264 179.8
[M+NH4]+ 361.123363 190.2
[M+K]+ 382.052698 170.4
[M+H-H2O]+ 326.086800 169.8
[M+HCOO]- 388.087741 195.6
[M+CH3COO]- 402.103391 219.1
[M+Na-2H]- 364.064206 175.3
[M]+ 343.08899142 193.4
[M]- 343.09008858 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe