CID 71917420

4-[({1-[(4-bromophenyl)methyl]piperidin-4-yl}carbamoyl)methoxy]benzamide

Structural Information

Molecular Formula
C21H24BrN3O3
SMILES
C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)N)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C21H24BrN3O3/c22-17-5-1-15(2-6-17)13-25-11-9-18(10-12-25)24-20(26)14-28-19-7-3-16(4-8-19)21(23)27/h1-8,18H,9-14H2,(H2,23,27)(H,24,26)
InChIKey
CVJYDLCZCAYBNP-UHFFFAOYSA-N
Compound name
4-[2-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-2-oxoethoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

445.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.10738 197.4
[M+Na]+ 468.08932 201.8
[M-H]- 444.09282 205.7
[M+NH4]+ 463.13392 207.1
[M+K]+ 484.06326 189.6
[M+H-H2O]+ 428.09736 192.6
[M+HCOO]- 490.09830 212.7
[M+CH3COO]- 504.11395 228.6
[M+Na-2H]- 466.07477 197.7
[M]+ 445.09955 211.3
[M]- 445.10065 211.3
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

patents stripe