CID 508909

2-amino-5-bromo-n-[2-oxo-2-[[1-(p-tolylmethyl)-4-piperidyl]methylamino]ethyl]benzamide

Structural Information

Molecular Formula
C23H29BrN4O2
SMILES
CC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=C(C=CC(=C3)Br)N
InChI
InChI=1S/C23H29BrN4O2/c1-16-2-4-18(5-3-16)15-28-10-8-17(9-11-28)13-26-22(29)14-27-23(30)20-12-19(24)6-7-21(20)25/h2-7,12,17H,8-11,13-15,25H2,1H3,(H,26,29)(H,27,30)
InChIKey
DBVKRINAMDARFF-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-N-[2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.15468 206.5
[M+Na]+ 495.13662 210.3
[M-H]- 471.14012 214.7
[M+NH4]+ 490.18122 215.2
[M+K]+ 511.11056 196.9
[M+H-H2O]+ 455.14466 201.0
[M+HCOO]- 517.14560 221.9
[M+CH3COO]- 531.16125 237.6
[M+Na-2H]- 493.12207 205.6
[M]+ 472.14685 219.3
[M]- 472.14795 219.3
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.