CID 3058632

75449-65-9

Structural Information

Molecular Formula
C17H20BrN3O2
SMILES
CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H20BrN3O2/c1-21(2)11-4-12-23-17(22)15-5-3-10-19-16(15)20-14-8-6-13(18)7-9-14/h3,5-10H,4,11-12H2,1-2H3,(H,19,20)
InChIKey
WMDVBPMOOLTMAM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(4-bromoanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.07388 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08116 178.6
[M+Na]+ 400.06310 181.2
[M+NH4]+ 395.10770 181.9
[M+K]+ 416.03704 180.6
[M-H]- 376.06660 181.2
[M+Na-2H]- 398.04855 183.0
[M]+ 377.07333 178.4
[M]- 377.07443 178.4
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.